2-pentyl-1,3-thiazole-5-carboxylic acid

2-pentyl-1,3-thiazole-5-carboxylic acid

CAS: 30709-71-8

Formula: C9H13NO2S

SMILES: CCCCCC1=NC=C(S1)C(O)=O

IUPAC: 2-pentyl-1,3-thiazole-5-carboxylic acid

InChI: InChI=1S/C9H13NO2S/c1-2-3-4-5-8-10-6-7(13-8)9(11)12/h6H,2-5H2,1H3,(H,11,12)

Composition: C (54.25%), H (6.58%), N (7.03%), O (16.06%), S (16.09%)

Molar Mass: 199.27

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.066699837
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JUAWFSIKJVERBY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.18
Topological Polar Surface Area	50.19
Polarizability	19.64
Ring Count	1
Rotatable Bond Count	5

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