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89401-68-3 | 4-Thiazolecarboxamide, 2-(2-methyl-4-pyridinyl)-
CAS No: 89401-68-3 Catalog No: AG003WJD MDL No:
Product Description
Catalog Number:
AG003WJD
Chemical Name:
4-Thiazolecarboxamide, 2-(2-methyl-4-pyridinyl)-
CAS Number:
89401-68-3
Molecular Formula:
C10H9N3OS
Molecular Weight:
219.2630
IUPAC Name:
2-(2-methylpyridin-4-yl)-1,3-thiazole-4-carboxamide
InChI:
InChI=1S/C10H9N3OS/c1-6-4-7(2-3-12-6)10-13-8(5-15-10)9(11)14/h2-5H,1H3,(H2,11,14)
InChI Key:
NRITUMXLMOJUSZ-UHFFFAOYSA-N
SMILES:
Cc1nccc(c1)c1scc(n1)C(=O)N
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.047g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.262g/mol
Monoisotopic Mass:
219.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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