Home Halogens 2-Thiazolamine, 5-[(4-chlorophenyl)methyl]-

2-Thiazolamine, 5-[(4-chlorophenyl)methyl]-

CAS No.:
290835-51-7
Catalog Number:
AG002X9L
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
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Product Description
Catalog Number:
AG002X9L
Chemical Name:
2-Thiazolamine, 5-[(4-chlorophenyl)methyl]-
CAS Number:
290835-51-7
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
MDL Number:
MFCD03421418
IUPAC Name:
5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C10H9ClN2S/c11-8-3-1-7(2-4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChI Key:
KMPMCIAXAISHFL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Cc1cnc(s1)N
Properties
Complexity:
183  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.017g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
224.706g/mol
Monoisotopic Mass:
224.017g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Literature
Title Journal
Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching. Journal of medicinal chemistry 20120112
Properties