5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

C23H20N2O2S2 — CID 4665055

About 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one

5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 4665055) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 4665055
• Molecular Formula: C23H20N2O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.10
• IUPAC Name: 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: COc1ccccc1C=C1S/C(=N\c2ccc(C)cc2)N(Cc2cccs2)C1=O
• InChI: InChI=1S/C23H20N2O2S2/c1-16-9-11-18(12-10-16)24-23-25(15-19-7-5-13-28-19)22(26)21(29-23)14-17-6-3-4-8-20(17)27-2/h3-14H,15H2,1-2H3/b21-14?,24-23-
• InChIKey: AIFBFOCZSLRBGN-YLSRMXAHSA-N
• XLogP: 5.87
• TPSA: 41.90 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	5.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one (CID 4665055) is 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is COc1ccccc1C=C1S/C(=N\c2ccc(C)cc2)N(Cc2cccs2)C1=O.

What is the InChIKey of 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is AIFBFOCZSLRBGN-YLSRMXAHSA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-16-9-11-18(12-10-16)24-23-25(15-19-7-5-13-28-19)22(26)21(29-23)14-17-6-3-4-8-20(17)27-2/h3-14H,15H2,1-2H3/b21-14?,24-23-.

What are the key properties of 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one?

5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 5.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-methoxyphenyl)methylidene]-2-(4-methylphenyl)imino-3-(thiophen-2-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 4665055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).