(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one

C23H18N2O2S — CID 6089911

About (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one

(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one (PubChem CID 6089911) has the molecular formula C23H18N2O2S and a molecular weight of 386.48 g/mol. Its IUPAC name is (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
• PubChem CID: 6089911
• Molecular Formula: C23H18N2O2S
• Molecular Weight: 386.48 g/mol
• Exact Mass: 386.11
• IUPAC Name: (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one
• SMILES: COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1
• InChI: InChI=1S/C23H18N2O2S/c1-27-20-14-12-18(13-15-20)24-23-25(19-10-6-3-7-11-19)22(26)21(28-23)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-,24-23-
• InChIKey: MOPURGOFJQGFKO-BLOQEJBCSA-N
• XLogP: 5.50
• TPSA: 41.90 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	386.48
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one (CID 6089911) is (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one is COc1ccc(/N=C2\S/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1.

What is the InChIKey of (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one?

The InChIKey is MOPURGOFJQGFKO-BLOQEJBCSA-N. The full InChI is InChI=1S/C23H18N2O2S/c1-27-20-14-12-18(13-15-20)24-23-25(19-10-6-3-7-11-19)22(26)21(28-23)16-17-8-4-2-5-9-17/h2-16H,1H3/b21-16-,24-23-.

What are the key properties of (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one?

(5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one has a molecular weight of 386.48 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-5-benzylidene-2-(4-methoxyphenyl)imino-3-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 6089911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).