4-phenyl-1,3-thiazole-2-carboxylic acid

4-phenyl-1,3-thiazole-2-carboxylic acid

CAS: 59020-44-9

Formula: C10H7NO2S

SMILES: OC(=O)C1=NC(=CS1)C1=CC=CC=C1

IUPAC: 4-phenyl-1,3-thiazole-2-carboxylic acid

InChI: InChI=1S/C10H7NO2S/c12-10(13)9-11-8(6-14-9)7-4-2-1-3-5-7/h1-6H,(H,12,13)

Composition: C (58.52%), H (3.44%), N (6.82%), O (15.59%), S (15.62%)

Molar Mass: 205.23

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	205.019749643
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ORSGNNVYFOPYKB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.76
Topological Polar Surface Area	50.19
Polarizability	21.4
Ring Count	2
Rotatable Bond Count	2

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