4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid

C12H11FN2O2S — CID 82133814

IUPAC4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2ccc(F)c(C)c2)c(C(=O)O)s1
InChIInChI=1S/C12H11FN2O2S/c1-6-5-7(3-4-8(6)13)9-10(11(16)17)18-12(14-2)15-9/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFSRLYHOYDZPJAV-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.00
Rot. Bonds3

About 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid

4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (PubChem CID 82133814) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
PubChem CID82133814
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC Name4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
SMILESCNc1nc(-c2ccc(F)c(C)c2)c(C(=O)O)s1
InChIInChI=1S/C12H11FN2O2S/c1-6-5-7(3-4-8(6)13)9-10(11(16)17)18-12(14-2)15-9/h3-5H,1-2H3,(H,14,15)(H,16,17)
InChIKeyFSRLYHOYDZPJAV-UHFFFAOYSA-N
XLogP3.00
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-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

4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82134601
4-(2,5-dimethylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82133283
4-(3,4-dimethylphenyl)-2-(propanoylamino)-1,3-thiazole-5-carboxylic acid
CID 82226567
2-[2-(2,2-dimethylpropanoylamino)-4-(4-fluoro-3-methylphenyl)-1,3-thiazol-5-yl]acetic acid
CID 97035856
4-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 82226845
5-(4-fluoro-3-methylphenyl)-4-methylthiophene-2-carboxylic acid
CID 78917575
2-(butanoylamino)-4-(4-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CID 94970416
5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383042
4-(4-fluoro-3-methylphenyl)-2-methylsulfanyl-1H-imidazole-5-carboxylic acid
CID 116824076
2-[(2-fluorophenyl)methyl]-4-(3-methylphenyl)-1,3-thiazole-5-carboxylic acid
CID 82227149
4-(3,4-difluorophenyl)-2-[2-(dimethylamino)ethyl]-1,3-thiazole-5-carboxylic acid
CID 94971375
6-(4-fluoro-3-methylphenyl)-N,3-dimethyl-1,2,4-triazin-5-amine
CID 116823562

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid (CID 82133814) is 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is CNc1nc(-c2ccc(F)c(C)c2)c(C(=O)O)s1.
What is the InChIKey of 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
The InChIKey is FSRLYHOYDZPJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c1-6-5-7(3-4-8(6)13)9-10(11(16)17)18-12(14-2)15-9/h3-5H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid?
4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 82133814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).