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

C11H9FN2O2S — CID 79401895

IUPAC5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(Nc2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O2S/c1-6-9(11(15)16)10(17-14-6)13-8-4-2-3-7(12)5-8/h2-5,13H,1H3,(H,15,16)
InChIKeyJLZRSKBMTTYYRO-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.03
Rot. Bonds3

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

5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid (PubChem CID 79401895) has the molecular formula C11H9FN2O2S and a molecular weight of 252.27 g/mol. Its IUPAC name is 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
PubChem CID79401895
Molecular FormulaC11H9FN2O2S
Molecular Weight252.27 g/mol
Exact Mass252.04
IUPAC Name5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
SMILESCc1nsc(Nc2cccc(F)c2)c1C(=O)O
InChIInChI=1S/C11H9FN2O2S/c1-6-9(11(15)16)10(17-14-6)13-8-4-2-3-7(12)5-8/h2-5,13H,1H3,(H,15,16)
InChIKeyJLZRSKBMTTYYRO-UHFFFAOYSA-N
XLogP3.03
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(3-fluoroanilino)-3-methyl-1,2-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

5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79403075
5-[4-fluoro-3-(trifluoromethyl)anilino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 79397206
3-methyl-5-(4-methylanilino)-1,2-thiazole-4-carboxylic acid
CID 79402442
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carbonitrile
CID 79376316
1-[5-(3,5-difluoroanilino)-3-methyl-1,2-thiazol-4-yl]ethanone
CID 79375410
1-[3-methyl-5-(3-methylsulfanylanilino)-1,2-thiazol-4-yl]ethanone
CID 79375148
5-(4-bromo-3-methoxyanilino)-3-methyl-1,2-thiazole-4-carboxylic acid
CID 82860177
2-(3-fluoroanilino)-4,6-dimethylpyridine-3-carboxylic acid
CID 60678644
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 5-(3-chloroanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79376080
5-[(3-bromobenzoyl)amino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 60868992
5-[(2-chloro-5-fluorophenyl)sulfonylamino]-3-methyl-1,2-thiazole-4-carboxylic acid
CID 105399703

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The IUPAC name of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid (CID 79401895) is 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The canonical SMILES for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid is Cc1nsc(Nc2cccc(F)c2)c1C(=O)O.
What is the InChIKey of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
The InChIKey is JLZRSKBMTTYYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O2S/c1-6-9(11(15)16)10(17-14-6)13-8-4-2-3-7(12)5-8/h2-5,13H,1H3,(H,15,16).
What are the key properties of 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid?
5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoroanilino)-3-methyl-1,2-thiazole-4-carboxylic acid is sourced from PubChem (CID 79401895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).