(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

C24H19N3OS — CID 1231522

About (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one

(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (PubChem CID 1231522) has the molecular formula C24H19N3OS and a molecular weight of 397.50 g/mol. Its IUPAC name is (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
• PubChem CID: 1231522
• Molecular Formula: C24H19N3OS
• Molecular Weight: 397.50 g/mol
• Exact Mass: 397.12
• IUPAC Name: (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
• SMILES: O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1cccnc1
• InChI: InChI=1S/C24H19N3OS/c28-23-22(15-7-11-19-9-3-1-4-10-19)29-24(26-21-13-5-2-6-14-21)27(23)18-20-12-8-16-25-17-20/h1-17H,18H2/b11-7+,22-15-,26-24-
• InChIKey: WJYLPPMQSAGZBI-FWJGGVBESA-N
• XLogP: 5.44
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	397.50
LogP ≤ 5	5.44
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)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one (CID 1231522) is (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is O=C1/C(=C/C=C/c2ccccc2)S/C(=N\c2ccccc2)N1Cc1cccnc1.

What is the InChIKey of (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?

The InChIKey is WJYLPPMQSAGZBI-FWJGGVBESA-N. The full InChI is InChI=1S/C24H19N3OS/c28-23-22(15-7-11-19-9-3-1-4-10-19)29-24(26-21-13-5-2-6-14-21)27(23)18-20-12-8-16-25-17-20/h1-17H,18H2/b11-7+,22-15-,26-24-.

What are the key properties of (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one?

(5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one has a molecular weight of 397.50 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-phenylimino-5-[(E)-3-phenylprop-2-enylidene]-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 1231522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).