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

C16H12N2O2S — CID 71457823

IUPAC4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
SMILESNc1nc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cs1
InChIInChI=1S/C16H12N2O2S/c17-16-18-14(9-21-16)13-3-1-2-12(8-13)10-4-6-11(7-5-10)15(19)20/h1-9H,(H2,17,18)(H,19,20)
InChIKeyWUWFSFNECDTGIC-UHFFFAOYSA-N
MW296.35 g/mol
LogP3.76
Rot. Bonds3

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

4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid (PubChem CID 71457823) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
PubChem CID71457823
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC Name4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
SMILESNc1nc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cs1
InChIInChI=1S/C16H12N2O2S/c17-16-18-14(9-21-16)13-3-1-2-12(8-13)10-4-6-11(7-5-10)15(19)20/h1-9H,(H2,17,18)(H,19,20)
InChIKeyWUWFSFNECDTGIC-UHFFFAOYSA-N
XLogP3.76
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]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

3-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid
CID 71454260
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2-methylbenzoic acid
CID 155410143
3-(4-carboxyphenyl)benzoic acid
CID 11550488
4-[[4-(3-aminophenyl)-1,3-thiazol-2-yl]methyl]benzoic acid
CID 82154926
4-(3-carboxyphenyl)-1,3-thiazole-2-carboxylic acid
CID 18548742
3-phenylbenzoic acid;4-phenylbenzoic acid
CID 161256783
4-(3-aminophenyl)benzoic acid;hydrochloride
CID 2756354
4-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]benzoic acid
CID 63529998
3-(4-carboxyphenyl)benzoic acid;ethane
CID 144908404
N-[3-(2-amino-1,3-thiazol-4-yl)phenyl]-2,2,2-trifluoroacetamide
CID 28865303
ethane;4-phenyl-1,3-thiazol-2-amine
CID 91233366
4-(3-anilinophenyl)-1,3-thiazol-2-amine
CID 155427302

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid?
The IUPAC name of 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid (CID 71457823) is 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid.
What is the SMILES notation for 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid?
The canonical SMILES for 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid is Nc1nc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cs1.
What is the InChIKey of 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid?
The InChIKey is WUWFSFNECDTGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2S/c17-16-18-14(9-21-16)13-3-1-2-12(8-13)10-4-6-11(7-5-10)15(19)20/h1-9H,(H2,17,18)(H,19,20).
What are the key properties of 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid?
4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid has a molecular weight of 296.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-amino-1,3-thiazol-4-yl)phenyl]benzoic acid is sourced from PubChem (CID 71457823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).