2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

C13H12N2O3S — CID 116696476

IUPAC2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)12-15-10(6-19-12)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyFXDDNGUNKDVZOO-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.71
Rot. Bonds3

About 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid

2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 116696476) has the molecular formula C13H12N2O3S and a molecular weight of 276.32 g/mol. Its IUPAC name is 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
PubChem CID116696476
Molecular FormulaC13H12N2O3S
Molecular Weight276.32 g/mol
Exact Mass276.06
IUPAC Name2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1ccc(NC(=O)c2nc(C(=O)O)cs2)c(C)c1
InChIInChI=1S/C13H12N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)12-15-10(6-19-12)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18)
InChIKeyFXDDNGUNKDVZOO-UHFFFAOYSA-N
XLogP2.71
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-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

Related Compounds

2-[[(2,4-dimethylphenyl)carbamoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 66378977
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
2-[(4-bromo-2-ethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697325
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116697007
N-(4-chloro-2-methylphenyl)-4-methyl-1,3-thiazole-2-carboxamide
CID 110696195
2-[(3,5-dimethyl-1H-pyrazol-4-yl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696706
2-[1-(4-methylphenyl)ethylcarbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696883
2-[(2-ethyl-6-methylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696510
2-[(2-methyl-3-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107811028
N-(2,4-dimethylphenyl)-4,6-dimethylpyridine-2-carboxamide
CID 19224341
2-[(4-tert-butylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696532
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696537

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid (CID 116696476) is 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is Cc1ccc(NC(=O)c2nc(C(=O)O)cs2)c(C)c1.
What is the InChIKey of 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is FXDDNGUNKDVZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3S/c1-7-3-4-9(8(2)5-7)14-11(16)12-15-10(6-19-12)13(17)18/h3-6H,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid?
2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 276.32 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethylphenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 116696476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).