(5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

C24H25N3OS — CID 18842619

About (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one

(5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (PubChem CID 18842619) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
• PubChem CID: 18842619
• Molecular Formula: C24H25N3OS
• Molecular Weight: 403.55 g/mol
• Exact Mass: 403.17
• IUPAC Name: (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
• SMILES: CC(/C=C1\S/C(=N\c2cccnc2)N(C2CCCCC2)C1=O)=C\c1ccccc1
• InChI: InChI=1S/C24H25N3OS/c1-18(15-19-9-4-2-5-10-19)16-22-23(28)27(21-12-6-3-7-13-21)24(29-22)26-20-11-8-14-25-17-20/h2,4-5,8-11,14-17,21H,3,6-7,12-13H2,1H3/b18-15+,22-16-,26-24-
• InChIKey: PKOVNGBAFZPCME-ABSKTXOFSA-N
• XLogP: 5.96
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	403.55
LogP ≤ 5	5.96
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)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one (CID 18842619) is (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is CC(/C=C1\S/C(=N\c2cccnc2)N(C2CCCCC2)C1=O)=C\c1ccccc1.

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

The InChIKey is PKOVNGBAFZPCME-ABSKTXOFSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-18(15-19-9-4-2-5-10-19)16-22-23(28)27(21-12-6-3-7-13-21)24(29-22)26-20-11-8-14-25-17-20/h2,4-5,8-11,14-17,21H,3,6-7,12-13H2,1H3/b18-15+,22-16-,26-24-.

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

(5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one has a molecular weight of 403.55 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-3-cyclohexyl-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-2-pyridin-3-ylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 18842619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).