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Basic Information
CAS No.: 774-50-5
Name: 2-AMINO-5-(4-FLUOROPHENYL)-THIAZOLE
Article Data: 3
Molecular Structure:
Molecular Structure of 774-50-5 (2-AMINO-5-(4-FLUOROPHENYL)-THIAZOLE)
Formula: C9H7FN2S
Molecular Weight: 194.232
Synonyms: 2-Amino-5-(4-fluorophenyl)thiazole;4-(4-fluorophenyl)-1,3-thiazol-2-amine;
Density: 1.349 g/cm3
Boiling Point: 359.1 °C at 760 mmHg
Flash Point: 171 °C
PSA: 67.88000
LogP: 2.46150
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Specification

The CAS register number of 5-(4-Fluorophenyl)-2-thiazolamine is 774-50-5. It also can be called as 2-Amino-5-(4-fluorophenyl)thiazole and the systematic name about this chemical is 4-(4-fluorophenyl)-1,3-thiazol-2-amine. The molecular formula about this chemical is C9H7FN2S and molecular weight is 194.23.

Physical properties about 5-(4-Fluorophenyl)-2-thiazolamine are: (1)ACD/LogP: 2.07 ; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 2.07; (4)ACD/BCF (pH 5.5): 16.88; (5)ACD/BCF (pH 7.4): 22; (6)ACD/KOC (pH 5.5): 243.86; (7)ACD/KOC (pH 7.4): 317.68; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 44.37Å2; (12)Index of Refraction: 1.635; (13)Molar Refractivity: 51.55 cm3; (14)Molar Volume: 143.9 cm3; (15)Polarizability: 20.43x10-24cm3; (16)Surface Tension: 54.4 dyne/cm; (17)Enthalpy of Vaporization: 60.47 kJ/mol; (18)Boiling Point: 359.1 °C at 760 mmHg; (19)Vapour Pressure: 2.43E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc2ccc(c1nc(sc1)N)cc2
(2)InChI: InChI=1/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(3)InChIKey: WSOKJBHBMAGBIP-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C9H7FN2S/c10-7-3-1-6(2-4-7)8-5-13-9(11)12-8/h1-5H,(H2,11,12)
(5)Std. InChIKey: WSOKJBHBMAGBIP-UHFFFAOYSA-N