(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

C24H20Cl2N4OS — CID 135435364

About (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one

(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135435364) has the molecular formula C24H20Cl2N4OS and a molecular weight of 483.42 g/mol. Its IUPAC name is (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

• Compound Name: (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• PubChem CID: 135435364
• Molecular Formula: C24H20Cl2N4OS
• Molecular Weight: 483.42 g/mol
• Exact Mass: 482.07
• IUPAC Name: (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one
• SMILES: O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccc(N3CCCCC3)c2c1
• InChI: InChI=1S/C24H20Cl2N4OS/c25-17-5-4-6-18(26)22(17)28-24-29-23(31)21(32-24)14-15-7-8-19-16(13-15)20(9-10-27-19)30-11-2-1-3-12-30/h4-10,13-14H,1-3,11-12H2,(H,28,29,31)/b21-14-
• InChIKey: HGGQWOAWLWZDOT-STZFKDTASA-N
• XLogP: 6.42
• TPSA: 57.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.42
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The IUPAC name of (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one (CID 135435364) is (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one.

What is the SMILES notation for (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The canonical SMILES for (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2c(Cl)cccc2Cl)S/C1=C\c1ccc2nccc(N3CCCCC3)c2c1.

What is the InChIKey of (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

The InChIKey is HGGQWOAWLWZDOT-STZFKDTASA-N. The full InChI is InChI=1S/C24H20Cl2N4OS/c25-17-5-4-6-18(26)22(17)28-24-29-23(31)21(32-24)14-15-7-8-19-16(13-15)20(9-10-27-19)30-11-2-1-3-12-30/h4-10,13-14H,1-3,11-12H2,(H,28,29,31)/b21-14-.

What are the key properties of (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one?

(5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 483.42 g/mol, XLogP of 6.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5Z)-2-(2,6-dichlorophenyl)imino-5-[(4-piperidin-1-ylquinolin-6-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135435364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).