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Name	2-Thiazolamine,5-(4-pyridinyl)-	EINECS	N/A
CAS No.	40353-55-7	Density	1.333 g/cm³
PSA	80.77000	LogP	1.71740
Solubility	N/A	Melting Point	N/A
Formula	C₈H₇N₃S	Boiling Point	378.931 °C at 760 mmHg
Molecular Weight	177.23	Flash Point	182.971 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	5-(Pyridin-4-yl)-1,3-thiazol-2-amine;5-(4-Pyridinyl)-2-thiazolamine;	Article Data	6

2-Thiazolamine,5-(4-pyridinyl)- Synthetic route

: 6221-13-2
4-(bromoacetyl)pyridine

: 17356-08-0
thiourea

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

Conditions

Conditions	Yield
With triethylamine In ethanol at 60℃; for 20h;	86%
With triethylamine In ethanol at 60℃; for 20h;	86%

: 959986-23-3
2,2-dimethyl-N-(5-pyridin-4-yl-thiazol-2-yl)propionamide

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

Conditions

Conditions	Yield
With hydrogenchloride for 4h; Reflux;
With hydrogenchloride In water for 2h; Reflux;
With hydrogenchloride In water for 2h; Reflux;

: 13734-34-4
N-tert-butoxycarbonyl-L-phenylalanine

: 76-05-1
trifluoroacetic acid

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: C22H24N4O3S*C2HF3O2

Conditions

Conditions	Yield
Stage #1: N-tert-butoxycarbonyl-L-phenylalanine; 5-pyridin-4-yl-thiazol-2-ylamine With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine In N,N-dimethyl-formamide at 50℃; for 6h; Stage #2: trifluoroacetic acid In water; acetonitrile for 0.75h;

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: (S)-3-phenyl-N-(5-(pyridin-4-yl)thiazol-2-yl)-2-((thiazol-5-ylmethyl)amino)propanamide trifluoroacetate

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 50 °C 1.2: HPLC columh / 0.75 h 2.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C 3.1: sodium tris(acetoxy)borohydride / 1,2-dichloro-ethane / 12 h / 70 °C / Inert atmosphere 3.2: HPLC columh / 0.5 h View Scheme

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: C17H16N4OS

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 6 h / 50 °C 1.2: HPLC columh / 0.75 h 2.1: trifluoroacetic acid / dichloromethane / 3 h / 20 °C View Scheme

: 102-36-3
3,4-dichlorophenylisocyanate

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: 1459140-13-6
1-(3,4-dichlorophenyl)-3-(5-(pyridin-4-yl)thiazol-2-yl)urea

Conditions

Conditions	Yield
In N,N-dimethyl-formamide at 90℃; for 1h;

: 4-(benzenesulfonyl)-2,6-dichloropyridine

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: (4-benzenesulfonyl-6-chloropyridin-2-yl)-(5-pyridin-4-ylthiazol-2-yl)amine

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); sodium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene In 1,4-dioxane at 120℃; for 1.5h; Inert atmosphere; Sealed tube;	70 mg

: 4-(benzenesulfonyl)-2,6-dichloropyridine

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: 4-benzenesulfonyl-N-(2-methanesulfonylethyl)-N'-(5-pyridin-4-ylthiazol-2-yl)pyridine-2,6-diamine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: sodium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 1.5 h / 120 °C / Inert atmosphere; Sealed tube 2: sodium t-butanolate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris-(dibenzylideneacetone)dipalladium(0) / 1,2-dimethoxyethane / 24 h / 85 °C / Sealed tube View Scheme

Yield

Multi-step reaction with 2 steps
1: sodium carbonate; 4,5-bis(diphenylphos4,5-bis(diphenylphosphino)-9,9-dimethylxanthenephino)-9,9-dimethylxanthene; tris-(dibenzylideneacetone)dipalladium(0) / 1,4-dioxane / 1.5 h / 120 °C / Inert atmosphere; Sealed tube
2: sodium t-butanolate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris-(dibenzylideneacetone)dipalladium(0) / 1,2-dimethoxyethane / 24 h / 85 °C / Sealed tube
View Scheme

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: [6-(4-ethyl-piperazin-1-yl)-2-methyl-pyrimidin-4-yl]-(5-pyridin-4-yl-thiazol-2-yl)amine hydrochloride

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: sodium hydride / mineral oil / 1 h / 0 °C / Inert atmosphere 2: dimethyl sulfoxide / 1 h / 100 °C 3: hydrogenchloride / water / 0 °C View Scheme

: 1780-26-3
2,4-dichloro-2-methylpyrimidine

: 40353-55-7
5-pyridin-4-yl-thiazol-2-ylamine

: (6-chloro-2-methyl-pyrimidin-4-yl)-(5-pyridin-4-yl-thiazol-2-yl)amine

Conditions

Conditions	Yield
With sodium hydride In mineral oil at 0℃; for 1h; Inert atmosphere;
With sodium hydride In 1-methyl-pyrrolidin-2-one; mineral oil at 0℃; for 1h; Inert atmosphere;

2-Thiazolamine,5-(4-pyridinyl)- Specification

The 2-Thiazolamine,5-(4-pyridinyl)- is an organic compound with the formula C₈H₇N₃S. The systematic name of this chemical is 2-Thiazolamine, 5-(4-pyridinyl)-. With the CAS registry number 40353-55-7, it is also named as 5-(Pyridin-4-yl)-1,3-thiazol-2-amine. Besides, its molecular weight is 177.2263.

The physical properties of 2-Thiazolamine,5-(4-pyridinyl)- are: (1)ACD/LogP: 0.21; (2)ACD/LogD (pH 5.5): 0.205; (3)ACD/LogD (pH 7.4): 0.21; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 30.662; (7)ACD/KOC (pH 7.4): 30.997; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 80.04 Å²; (12)Index of Refraction: 1.67; (13)Molar Refractivity: 49.648 cm³; (14)Molar Volume: 132.925 cm³; (15)Polarizability: 19.682×10^-24 cm³; (16)Surface Tension: 65.339 dyne/cm; (17)Density: 1.333 g/cm³; (18)Flash Point: 182.971 °C; (19)Enthalpy of Vaporization: 62.689 kJ/mol; (20)Boiling Point: 378.931 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cnccc1c2cnc(s2)N
(2)InChI: InChI=1/C8H7N3S/c9-8-11-5-7(12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11)
(3)InChIKey: UQQWEGWMBDAOET-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H7N3S/c9-8-11-5-7(12-8)6-1-3-10-4-2-6/h1-5H,(H2,9,11)
(5)Std. InChIKey: UQQWEGWMBDAOET-UHFFFAOYSA-N

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