4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid

C13H9F3N2O3S — CID 87633596

IUPAC4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O
InChIInChI=1S/C13H9F3N2O3S/c1-6-9(11(20)21)22-12(17-6)18-10(19)7-3-2-4-8(5-7)13(14,15)16/h2-5H,1H3,(H,20,21)(H,17,18,19)
InChIKeyKQUGDICMRPVXJB-UHFFFAOYSA-N
MW330.29 g/mol
LogP3.42
Rot. Bonds3

About 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid

4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 87633596) has the molecular formula C13H9F3N2O3S and a molecular weight of 330.29 g/mol. Its IUPAC name is 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID87633596
Molecular FormulaC13H9F3N2O3S
Molecular Weight330.29 g/mol
Exact Mass330.03
IUPAC Name4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O
InChIInChI=1S/C13H9F3N2O3S/c1-6-9(11(20)21)22-12(17-6)18-10(19)7-3-2-4-8(5-7)13(14,15)16/h2-5H,1H3,(H,20,21)(H,17,18,19)
InChIKeyKQUGDICMRPVXJB-UHFFFAOYSA-N
XLogP3.42
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-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

Related Compounds

3-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]thiophene-2-carboxylic acid
CID 17463691
N-(7-fluoro-6-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461424
N-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 43836442
N-(4,5-dimethyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 3386091
N-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 7192788
N-(6-acetamido-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 2374848
4-methyl-2-[2-methyl-5-(trifluoromethyl)anilino]-1,3-thiazole-5-carboxylic acid
CID 80568831
N-(5,6,7-trifluoro-1,3-benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 89461680
2-benzamido-4-methyl-1,3-thiazole-5-carboxylic acid;3-methoxybenzamide
CID 87632450
N-(5-benzoyl-4-methyl-1,3-thiazol-2-yl)benzamide
CID 7315330
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(trifluoromethyl)benzamide
CID 3247994
N-([1,3]thiazolo[4,5-g][1,3]benzothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 90606188

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid (CID 87633596) is 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(=O)c2cccc(C(F)(F)F)c2)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is KQUGDICMRPVXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O3S/c1-6-9(11(20)21)22-12(17-6)18-10(19)7-3-2-4-8(5-7)13(14,15)16/h2-5H,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 330.29 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 87633596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).