N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide

C16H12N2O2S — CID 1417818

IUPACN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14-11-21-16(18(14)13-9-5-2-6-10-13)17-15(20)12-7-3-1-4-8-12/h1-10H,11H2/b17-16-
InChIKeyUBXWNTMAWNECPE-MSUUIHNZSA-N
MW296.35 g/mol
LogP2.96
Rot. Bonds2

About N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide

N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 1417818) has the molecular formula C16H12N2O2S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID1417818
Molecular FormulaC16H12N2O2S
Molecular Weight296.35 g/mol
Exact Mass296.06
IUPAC NameN-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccccc1
InChIInChI=1S/C16H12N2O2S/c19-14-11-21-16(18(14)13-9-5-2-6-10-13)17-15(20)12-7-3-1-4-8-12/h1-10H,11H2/b17-16-
InChIKeyUBXWNTMAWNECPE-MSUUIHNZSA-N
XLogP2.96
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_C(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide 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-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148
4(3H)-Quinazolinone, 2-(ethylthio)-3-phenyl-
CID 63761
4(3H)-Quinazolinone, 2-methylthio-3-phenyl-
CID 64035
2-(4-Oxo-3-phenyl-3,4-dihydro-quinazolin-2-ylsulfanyl)-acetamide
CID 680931
S-[2-(methylanilino)-2-oxoethyl] benzenecarbothioate
CID 820087
2-[(3-methyl-4-oxo-2-quinazolinyl)thio]-N-phenylacetamide
CID 855776
2-[2-(Azetidin-1-yl)-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one
CID 2456205
3-Methyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylquinazolin-4-one
CID 2635428
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
N-phenyl-N-(4,5,6,7-tetrahydro-1,3-thiazepin-2-yl)benzamide
CID 820120
1-methyl-5H-[1,3]thiazolo[3,2-a]quinazolin-5-one
CID 852246
3-phenyl-2-(prop-2-yn-1-ylthio)quinazolin-4(3H)-one
CID 1856731

Frequently Asked Questions

What is the IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide (CID 1417818) is N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide is O=C(/N=C1\SCC(=O)N1c1ccccc1)c1ccccc1.
What is the InChIKey of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is UBXWNTMAWNECPE-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H12N2O2S/c19-14-11-21-16(18(14)13-9-5-2-6-10-13)17-15(20)12-7-3-1-4-8-12/h1-10H,11H2/b17-16-.
What are the key properties of N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide?
N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 296.35 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 1417818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).