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89401-53-6 | 5-Thiazolecarboxamide, 2-(4-pyridinyl)-
CAS No: 89401-53-6 Catalog No: AG003VXN MDL No:
Product Description
Catalog Number:
AG003VXN
Chemical Name:
5-Thiazolecarboxamide, 2-(4-pyridinyl)-
CAS Number:
89401-53-6
Molecular Formula:
C9H7N3OS
Molecular Weight:
205.2364
IUPAC Name:
2-pyridin-4-yl-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C9H7N3OS/c10-8(13)7-5-12-9(14-7)6-1-3-11-4-2-6/h1-5H,(H2,10,13)
InChI Key:
FKIFQOXQDUSHEM-UHFFFAOYSA-N
SMILES:
NC(=O)c1cnc(s1)c1ccncc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.235g/mol
Monoisotopic Mass:
205.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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