2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid

C12H11NO2S — CID 43156467

IUPAC2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)s2)c(C)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-4-9(8(2)5-7)11-13-6-10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyVQAQHESOPWLQDG-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.13
Rot. Bonds2

About 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid

2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (PubChem CID 43156467) has the molecular formula C12H11NO2S and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
PubChem CID43156467
Molecular FormulaC12H11NO2S
Molecular Weight233.29 g/mol
Exact Mass233.05
IUPAC Name2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid
SMILESCc1ccc(-c2ncc(C(=O)O)s2)c(C)c1
InChIInChI=1S/C12H11NO2S/c1-7-3-4-9(8(2)5-7)11-13-6-10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15)
InChIKeyVQAQHESOPWLQDG-UHFFFAOYSA-N
XLogP3.13
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid (CID 43156467) is 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is Cc1ccc(-c2ncc(C(=O)O)s2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is VQAQHESOPWLQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2S/c1-7-3-4-9(8(2)5-7)11-13-6-10(16-11)12(14)15/h3-6H,1-2H3,(H,14,15).
What are the key properties of 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid?
2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 233.29 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 43156467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).