(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C24H26ClN3OS — CID 18844134

About (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18844134) has the molecular formula C24H26ClN3OS and a molecular weight of 440.01 g/mol. Its IUPAC name is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 18844134
• Molecular Formula: C24H26ClN3OS
• Molecular Weight: 440.01 g/mol
• Exact Mass: 439.15
• IUPAC Name: (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CC(C)c1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1
• InChI: InChI=1S/C24H26ClN3OS/c1-16(2)18-10-8-17(9-11-18)14-22-23(29)28(19-6-4-3-5-7-19)24(30-22)27-21-12-13-26-15-20(21)25/h8-16,19H,3-7H2,1-2H3/b22-14-,27-24-
• InChIKey: YVUFMZCMUWIPGH-XRKKSIEBSA-N
• XLogP: 6.80
• TPSA: 45.56 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	440.01
LogP ≤ 5	6.80
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-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18844134) is (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC(C)c1ccc(/C=C2\S/C(=N\c3ccncc3Cl)N(C3CCCCC3)C2=O)cc1.

What is the InChIKey of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is YVUFMZCMUWIPGH-XRKKSIEBSA-N. The full InChI is InChI=1S/C24H26ClN3OS/c1-16(2)18-10-8-17(9-11-18)14-22-23(29)28(19-6-4-3-5-7-19)24(30-22)27-21-12-13-26-15-20(21)25/h8-16,19H,3-7H2,1-2H3/b22-14-,27-24-.

What are the key properties of (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 440.01 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(3-chloro-4-pyridinyl)imino]-3-cyclohexyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18844134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).