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2-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid

2-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid

CAS: 39067-29-3

Formula: C9H6N2O2S

SMILES: OC(=O)C1=CSC(=N1)C1=CC=CN=C1

IUPAC: 2-(pyridin-3-yl)-1,3-thiazole-4-carboxylic acid

InChI: InChI=1S/C9H6N2O2S/c12-9(13)7-5-14-8(11-7)6-2-1-3-10-4-6/h1-5H,(H,12,13)

Composition: C (52.42%), H (2.93%), N (13.58%), O (15.52%), S (15.55%)

Molar Mass: 206.22

Atom Count: 20

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 206.014998615
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FOQFGMAZUTUELM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.1
Topological Polar Surface Area 63.08
Polarizability 19.88
Ring Count 2
Rotatable Bond Count 2

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