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603107-76-2

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Basic Information
CAS No.: 603107-76-2
Name: 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide
Molecular Structure:
Molecular Structure of 603107-76-2 (2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide)
Formula: C14H12FN5OS2
Molecular Weight: 349.41
Synonyms: 2-Amino-4-Fluoro-5-(1-Methyl-1h-Imidazol-2-Yisulfanyl)-N-Thiazol-2-Yl-Benzamide;2-Amino-4-fluoro-5-(1-methyl-1H-imidazol-2-yl-sulfanyl)-N-thiazol-2-benzamide;2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide
Density: 1.57 g/cm3
PSA: 139.37000
LogP: 3.65560
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Specification

This chemical is called 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide, and it can also be named as benzamide, 2-amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-2-thiazolyl-. With the molecular formula of C14H12FN5OS2, its molecular weight is 349.41. The CAS registry number of this chemical is 603107-76-2.

Other characteristics of the 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)thio]-N-thiazol-2-ylbenzamide can be summarised as followings: (1)ACD/LogP: 3.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.65; (4)ACD/LogD (pH 7.4): 3.49; (5)ACD/BCF (pH 5.5): 346.49; (6)ACD/BCF (pH 7.4): 237.38; (7)ACD/KOC (pH 5.5): 2238.61; (8)ACD/KOC (pH 7.4): 1533.65; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 107.8 Å2; (13)Index of Refraction: 1.749; (14)Molar Refractivity: 90.61 cm3; (15)Molar Volume: 222.4 cm3; (16)Polarizability: 35.92×10-24cm3; (17)Surface Tension: 63.6 dyne/cm; (18)Density: 1.57 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c2cc(Sc1nccn1C)c(F)cc2N)Nc3nccs3
2.InChI: InChI=1/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21) 3.InChIKey: YUCYMQBDBXVNCE-UHFFFAOYAB