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88218-99-9 | 4-Thiazolecarboxamide, N-phenyl-
CAS No: 88218-99-9 Catalog No: AG004BQE MDL No:
Product Description
Catalog Number:
AG004BQE
Chemical Name:
4-Thiazolecarboxamide, N-phenyl-
CAS Number:
88218-99-9
Molecular Formula:
C10H8N2OS
Molecular Weight:
204.2483
IUPAC Name:
N-phenyl-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C10H8N2OS/c13-10(9-6-14-7-11-9)12-8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChI Key:
SYNYICWDYJEXNY-UHFFFAOYSA-N
SMILES:
O=C(c1cscn1)Nc1ccccc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.036g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.247g/mol
Monoisotopic Mass:
204.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Conformation study of 2-arylbenzimidazoles as inhibitors of Chlamydia pneumoniae growth. | Bioorganic & medicinal chemistry letters 20120715 |
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