Home Halogens 2-Thiazolamine, 5-[(3-chlorophenyl)methyl]-

2-Thiazolamine, 5-[(3-chlorophenyl)methyl]-

CAS No.:
313960-06-4
Catalog Number:
AG00I5XI
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
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Product Description
Catalog Number:
AG00I5XI
Chemical Name:
2-Thiazolamine, 5-[(3-chlorophenyl)methyl]-
CAS Number:
313960-06-4
Molecular Formula:
C10H9ClN2S
Molecular Weight:
224.7099
MDL Number:
MFCD00648465
IUPAC Name:
5-[(3-chlorophenyl)methyl]-1,3-thiazol-2-amine
InChI:
InChI=1S/C10H9ClN2S/c11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h1-4,6H,5H2,(H2,12,13)
InChI Key:
TWPTUTQCRHZBBC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)Cc1cnc(s1)N
Properties
Complexity:
191  
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
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties