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

C23H24ClN3OS — CID 18843653

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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 18843653) has the molecular formula C23H24ClN3OS and a molecular weight of 425.99 g/mol. Its IUPAC name is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 18843653
• Molecular Formula: C23H24ClN3OS
• Molecular Weight: 425.99 g/mol
• Exact Mass: 425.13
• IUPAC Name: (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
• SMILES: CCc1ccc(/C=C2\S/C(=N\c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1
• InChI: InChI=1S/C23H24ClN3OS/c1-2-16-10-12-17(13-11-16)15-20-22(28)27(18-7-4-3-5-8-18)23(29-20)26-19-9-6-14-25-21(19)24/h6,9-15,18H,2-5,7-8H2,1H3/b20-15-,26-23-
• InChIKey: NTRILSIVRPKZFO-DXDFYKGMSA-N
• XLogP: 6.23
• 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	425.99
LogP ≤ 5	6.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 18843653) is (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one.

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

The canonical SMILES for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is CCc1ccc(/C=C2\S/C(=N\c3cccnc3Cl)N(C3CCCCC3)C2=O)cc1.

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

The InChIKey is NTRILSIVRPKZFO-DXDFYKGMSA-N. The full InChI is InChI=1S/C23H24ClN3OS/c1-2-16-10-12-17(13-11-16)15-20-22(28)27(18-7-4-3-5-8-18)23(29-20)26-19-9-6-14-25-21(19)24/h6,9-15,18H,2-5,7-8H2,1H3/b20-15-,26-23-.

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

(5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 425.99 g/mol, XLogP of 6.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-[(2-chloro-3-pyridinyl)imino]-3-cyclohexyl-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 18843653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).