3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

C17H16N2OS — CID 1380329

IUPAC3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19(16(20)11-21-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3/b18-17-
InChIKeyFABLBZKZFNQMGH-ZCXUNETKSA-N
MW296.40 g/mol
LogP4.07
Rot. Bonds2

About 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one

3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 1380329) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
PubChem CID1380329
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
SMILESCc1ccc(/N=C2\SCC(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19(16(20)11-21-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3/b18-17-
InChIKeyFABLBZKZFNQMGH-ZCXUNETKSA-N
XLogP4.07
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one 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-p-Tolylamino-thiazol-4-one
CID 135411781
3-p-Tolylrhodanine
CID 99568
3-(4-Methylphenyl)-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one
CID 2052838
8-Ethyl-4-phenyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 703600
5-(4-Dimethylamino-benzylidene)-2-piperidin-1-yl-thiazol-4-one
CID 715217
6-Phenyl-5-(phenylimino)-4-thia-6-azaspiro[2.4]heptan-7-one
CID 2725900
1-(3-methylphenyl)-2,5-dioxo-3-pyrrolidinyl N'-phenylimidothiocarbamate
CID 2833590
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
(Z)-3-phenyl-2-((Z)-(1-(p-tolyl)ethylidene)hydrazono)thiazolidin-4-one
CID 6374159
2-[(5-benzyl-4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]-N-(4-methylphenyl)acetamide
CID 135419136
2-[(Z)-4-Ethyl-phenylimino]-thiazolidin-4-one
CID 135468637
6-hydroxy-3-(4-methylphenyl)-2-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}pyrimidin-4(3H)-one
CID 135541177

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 1380329) is 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is Cc1ccc(/N=C2\SCC(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is FABLBZKZFNQMGH-ZCXUNETKSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-3-7-14(8-4-12)18-17-19(16(20)11-21-17)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3/b18-17-.
What are the key properties of 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?
3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 296.40 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 1380329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).