4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid

C16H12N2O3S — CID 166643267

IUPAC4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
SMILESO=C(O)c1ccc(/N=C2\SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3S/c19-14-10-22-16(18(14)13-4-2-1-3-5-13)17-12-8-6-11(7-9-12)15(20)21/h1-9H,10H2,(H,20,21)/b17-16-
InChIKeyYKWSXIXBPNXJHB-MSUUIHNZSA-N
MW312.35 g/mol
LogP3.15
Rot. Bonds3

About 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid

4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid (PubChem CID 166643267) has the molecular formula C16H12N2O3S and a molecular weight of 312.35 g/mol. Its IUPAC name is 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid.

Molecular Properties

Compound Name4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
PubChem CID166643267
Molecular FormulaC16H12N2O3S
Molecular Weight312.35 g/mol
Exact Mass312.06
IUPAC Name4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid
SMILESO=C(O)c1ccc(/N=C2\SCC(=O)N2c2ccccc2)cc1
InChIInChI=1S/C16H12N2O3S/c19-14-10-22-16(18(14)13-4-2-1-3-5-13)17-12-8-6-11(7-9-12)15(20)21/h1-9H,10H2,(H,20,21)/b17-16-
InChIKeyYKWSXIXBPNXJHB-MSUUIHNZSA-N
XLogP3.15
TPSA69.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)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

2-(2-hydroxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
CID 4149001
2-(dimethylhydrazinylidene)-3-phenyl-1,3-thiazolidin-4-one
CID 72741463
2-cyclopropylimino-3-phenyl-1,3-thiazolidin-4-one
CID 59813928
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)furan-2-carboxamide
CID 1379458
3-amino-2-phenylimino-1,3-thiazolidin-4-one
CID 6456050
4-chloro-N-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]benzamide
CID 1382324
3-(3-hydroxypropyl)-2-phenylimino-1,3-thiazolidin-4-one
CID 121015318
4-[[(5Z)-5-[(4,6-dioxo-1-phenyl-2-sulfanylidene-1,3-diazinan-5-yl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6388539
3-(2-benzoyl-4-nitrophenyl)-2-(4-bromophenyl)imino-1,3-thiazolidin-4-one
CID 3066730
7-(4-methylphenyl)imino-4,5-diphenyl-1,4-thiazepin-3-one
CID 11101054
methyl 4-[2-(4-fluorophenyl)imino-4-oxo-1,3-thiazolidin-3-yl]-3-methylbenzoate
CID 130385836
(2Z)-2-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]-3-phenyl-1,3-thiazolidin-4-one
CID 5456730

Frequently Asked Questions

What is the IUPAC name of 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The IUPAC name of 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid (CID 166643267) is 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid.
What is the SMILES notation for 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The canonical SMILES for 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid is O=C(O)c1ccc(/N=C2\SCC(=O)N2c2ccccc2)cc1.
What is the InChIKey of 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
The InChIKey is YKWSXIXBPNXJHB-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O3S/c19-14-10-22-16(18(14)13-4-2-1-3-5-13)17-12-8-6-11(7-9-12)15(20)21/h1-9H,10H2,(H,20,21)/b17-16-.
What are the key properties of 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid?
4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid has a molecular weight of 312.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)amino]benzoic acid is sourced from PubChem (CID 166643267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).