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

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

CAS: 769123-53-7

Formula: C7H9NO2S

SMILES: CCCC1=NC(=CS1)C(O)=O

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

InChI: InChI=1S/C7H9NO2S/c1-2-3-6-8-5(4-11-6)7(9)10/h4H,2-3H2,1H3,(H,9,10)

Composition: C (49.11%), H (5.30%), N (8.18%), O (18.69%), S (18.73%)

Molar Mass: 171.21

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.035399708
Formal Charge	0
FSP3	0.43
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	MBWVPULRFTYSNB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.82
Topological Polar Surface Area	50.19
Polarizability	15.99
Ring Count	1
Rotatable Bond Count	3

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