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

C23H20N2O2S2 — CID 88888385

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

(5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (PubChem CID 88888385) has the molecular formula C23H20N2O2S2 and a molecular weight of 420.56 g/mol. Its IUPAC name is (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
• PubChem CID: 88888385
• Molecular Formula: C23H20N2O2S2
• Molecular Weight: 420.56 g/mol
• Exact Mass: 420.10
• IUPAC Name: (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one
• SMILES: COc1cccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)cc4)N(C)C3=O)s2)c1
• InChI: InChI=1S/C23H20N2O2S2/c1-15-7-9-17(10-8-15)24-23-25(2)22(26)21(29-23)14-19-11-12-20(28-19)16-5-4-6-18(13-16)27-3/h4-14H,1-3H3/b21-14-,24-23+
• InChIKey: PCMVPFJOCCVGBI-WRKLRJIISA-N
• XLogP: 5.97
• TPSA: 41.90 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.56
LogP ≤ 5	5.97
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 (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one (CID 88888385) is (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is COc1cccc(-c2ccc(/C=C3\S/C(=N/c4ccc(C)cc4)N(C)C3=O)s2)c1.

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

The InChIKey is PCMVPFJOCCVGBI-WRKLRJIISA-N. The full InChI is InChI=1S/C23H20N2O2S2/c1-15-7-9-17(10-8-15)24-23-25(2)22(26)21(29-23)14-19-11-12-20(28-19)16-5-4-6-18(13-16)27-3/h4-14H,1-3H3/b21-14-,24-23+.

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

(5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 420.56 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-[[5-(3-methoxyphenyl)thiophen-2-yl]methylidene]-3-methyl-2-(4-methylphenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 88888385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).