2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid

C12H11NO2S — CID 4962607

IUPAC2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyOKIXVEUDAQRHLQ-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.07
Rot. Bonds3

About 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid

2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid (PubChem CID 4962607) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
PubChem CID4962607
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
SMILESCCc1ccc(-c2nc(C(=O)O)cs2)cc1
InChIInChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-7H,2H2,1H3,(H,14,15)
InChIKeyOKIXVEUDAQRHLQ-UHFFFAOYSA-N
XLogP3.07
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-1,3-thiazole-4-carboxylic acid
CID 2794795
tert-butyl butanoate;2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid
CID 170970178
2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 20987012
2-[2-(4-ethylphenyl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 82302250
2-[4-(4-methylphenoxy)phenyl]-1,3-thiazole-4-carboxylic acid
CID 20987125
2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetic acid;hydrochloride
CID 18593828
2-[4-(2-methylprop-2-enylsulfanylmethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CID 82178460
2-[(4-ethylphenyl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 106900901
2-(4-cyclopropylphenyl)-1,3-thiazole-4-carboxylic acid
CID 79979819
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylate
CID 8837965
2-[4-[[bis(prop-2-enyl)amino]methyl]phenyl]-1,3-thiazole-4-carboxylic acid
CID 39160338
[1-[2-(4-ethylphenyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 24680878

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid (CID 4962607) is 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid is CCc1ccc(-c2nc(C(=O)O)cs2)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid?
The InChIKey is OKIXVEUDAQRHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-2-8-3-5-9(6-4-8)11-13-10(7-16-11)12(14)15/h3-7H,2H2,1H3,(H,14,15).
What are the key properties of 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid?
2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 4962607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).