CAS No.329249-53-8,2-Amino-5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-4(5H)-thiazolone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	329249-53-8
Name:	2-Amino-5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-4(5H)-thiazolone

Formula:	C₁₈H₂₀N₄O₂S
Molecular Weight:	356.44
Synonyms:	5-[4-[2-[N-Methyl-N-(2-pyridyl)amino]ethoxy]benzyl]-2-imino-4-thiazolidinone;
EINECS:	1312995-182-4
Density:	1.31 g/cm³
Boiling Point:	566.1 °C at 760 mmHg
Flash Point:	296.2 °C
Appearance:	Light gray to light brown powder
PSA:	103.61000
LogP:	2.73420

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Specification

The 2-Amino-5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-4(5H)-thiazolone is an organic compound with the formula C₁₈H₂₀N₄O₂S. The systematic name of this chemical is 2-amino-5-(4-{2-[methyl(pyridin-2-yl)amino]ethoxy}benzyl)-1,3-thiazol-4(5H)-one. With the CAS registry number 329249-53-8, it is also named as 4(5H)-thiazolone, 2-amino-5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-. It is light gray to light brown powder which is used as pharmaceutical intermediate.

The other characteristics of 2-Amino-5-[[4-[2-(methyl-2-pyridinylamino)ethoxy]phenyl]methyl]-4(5H)-thiazolone can be summarized as: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.18; (4)ACD/LogD (pH 7.4): 2.14; (5)#H bond acceptors: 6; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 7; (8)Polar Surface Area: 106.11 Å²; (9)Index of Refraction: 1.656; (10)Molar Refractivity: 99.7 cm³; (11)Molar Volume: 271.1 cm³; (12)Polarizability: 39.52×10^-24 cm³; (13)Surface Tension: 53.2 dyne/cm; (14)Density: 1.31 g/cm³; (15)Flash Point: 296.2 °C; (16)Enthalpy of Vaporization: 85.02 kJ/mol; (17)Boiling Point: 566.1 °C at 760 mmHg; (18)Vapour Pressure: 7.76E-13 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:CN(CCOc1ccc(cc1)CC2C(=O)N=C(S2)N)c3ccccn3
2. InChI:InChI=1/C18H20N4O2S/c1-22(16-4-2-3-9-20-16)10-11-24-14-7-5-13(6-8-14)12-15-17(23)21-18(19)25-15/h2-9,15H,10-12H2,1H3,(H2,19,21,23)
3. InChIKey:VQDBYZBZMGVIOT-UHFFFAOYAN
4. Std. InChI:InChI=1S/C18H20N4O2S/c1-22(16-4-2-3-9-20-16)10-11-24-14-7-5-13(6-8-14)12-15-17(23)21-18(19)25-15/h2-9,15H,10-12H2,1H3,(H2,19,21,23)
5. Std. InChIKey:VQDBYZBZMGVIOT-UHFFFAOYSA-N