4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid

C17H14N2O2S — CID 2384167

IUPAC4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1nc(Nc2ccc(C(=O)O)cc2)sc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)19-14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyRJUZQHVHEDGLPF-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.56
Rot. Bonds4

About 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid

4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid (PubChem CID 2384167) has the molecular formula C17H14N2O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
PubChem CID2384167
Molecular FormulaC17H14N2O2S
Molecular Weight310.38 g/mol
Exact Mass310.08
IUPAC Name4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
SMILESCc1nc(Nc2ccc(C(=O)O)cc2)sc1-c1ccccc1
InChIInChI=1S/C17H14N2O2S/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)19-14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21)
InChIKeyRJUZQHVHEDGLPF-UHFFFAOYSA-N
XLogP4.56
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic 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-[(5,6-dimethyl-2-phenylpyrimidin-4-yl)amino]benzoic acid
CID 54583972
4-[(4-phenyl-1,3-thiazol-2-yl)amino]benzoic acid
CID 877536
4-[[4-[4-methyl-2-(propanoylamino)-1,3-thiazol-5-yl]-1,3-thiazol-2-yl]amino]benzoic acid;hydrobromide
CID 5344979
bis(2-anilino-4-methyl-1,3-thiazol-5-yl)methanone
CID 87664196
3,5-diacetamido-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37200709
4-[[4-(3,4-dimethylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]benzoic acid
CID 780810
2-methyl-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)butanamide
CID 42957088
(E)-4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 134348775
4-(methoxymethyl)-N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)benzamide
CID 37201205
N-hydroxy-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide
CID 89219959
N-(4-methyl-5-phenyl-1,3-thiazol-2-yl)furan-3-carboxamide
CID 39189427
methyl 6-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)carbamoyl]pyridine-3-carboxylate
CID 39189291

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The IUPAC name of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid (CID 2384167) is 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid.
What is the SMILES notation for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The canonical SMILES for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid is Cc1nc(Nc2ccc(C(=O)O)cc2)sc1-c1ccccc1.
What is the InChIKey of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
The InChIKey is RJUZQHVHEDGLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2S/c1-11-15(12-5-3-2-4-6-12)22-17(18-11)19-14-9-7-13(8-10-14)16(20)21/h2-10H,1H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid?
4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid has a molecular weight of 310.38 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-5-phenyl-1,3-thiazol-2-yl)amino]benzoic acid is sourced from PubChem (CID 2384167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).