3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

C23H20N2O2S2 — CID 16633843

About 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one

3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 16633843) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
• PubChem CID: 16633843
• Molecular Formula: C23H20N2O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.10
• IUPAC Name: 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one
• SMILES: Cc1cccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2cccc(C)c2)c1
• InChI: InChI=1S/C23H20N2O2S2/c1-15-6-3-8-17(12-15)24-23-25(18-9-4-7-16(2)13-18)22(27)21(29-23)14-19(26)20-10-5-11-28-20/h3-13,21H,14H2,1-2H3/b24-23-
• InChIKey: IWMGFKWHZCOBRT-VHXPQNKSSA-N
• XLogP: 5.77
• TPSA: 49.74 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?

The IUPAC name of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one (CID 16633843) is 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is Cc1cccc(/N=C2\SC(CC(=O)c3cccs3)C(=O)N2c2cccc(C)c2)c1.

What is the InChIKey of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?

The InChIKey is IWMGFKWHZCOBRT-VHXPQNKSSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-6-3-8-17(12-15)24-23-25(18-9-4-7-16(2)13-18)22(27)21(29-23)14-19(26)20-10-5-11-28-20/h3-13,21H,14H2,1-2H3/b24-23-.

What are the key properties of 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one?

3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-methylphenyl)-2-(3-methylphenyl)imino-5-(2-oxo-2-thiophen-2-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 16633843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).