2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

C24H26ClFN4O3S — CID 5041223

About 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide

2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (PubChem CID 5041223) has the molecular formula C24H26ClFN4O3S and a molecular weight of 505.02 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
• PubChem CID: 5041223
• Molecular Formula: C24H26ClFN4O3S
• Molecular Weight: 505.02 g/mol
• Exact Mass: 504.14
• IUPAC Name: 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide
• SMILES: O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(CCCN2CCOCC2)C1=O)Nc1ccc(F)cc1
• InChI: InChI=1S/C24H26ClFN4O3S/c25-17-2-6-20(7-3-17)28-24-30(11-1-10-29-12-14-33-15-13-29)23(32)21(34-24)16-22(31)27-19-8-4-18(26)5-9-19/h2-9,21H,1,10-16H2,(H,27,31)/b28-24-
• InChIKey: LHIYDZFJBZWRFA-COOPMVRXSA-N
• XLogP: 4.16
• TPSA: 74.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.02
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The IUPAC name of 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide (CID 5041223) is 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide.

What is the SMILES notation for 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The canonical SMILES for 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is O=C(CC1S/C(=N\c2ccc(Cl)cc2)N(CCCN2CCOCC2)C1=O)Nc1ccc(F)cc1.

What is the InChIKey of 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

The InChIKey is LHIYDZFJBZWRFA-COOPMVRXSA-N. The full InChI is InChI=1S/C24H26ClFN4O3S/c25-17-2-6-20(7-3-17)28-24-30(11-1-10-29-12-14-33-15-13-29)23(32)21(34-24)16-22(31)27-19-8-4-18(26)5-9-19/h2-9,21H,1,10-16H2,(H,27,31)/b28-24-.

What are the key properties of 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide?

2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide has a molecular weight of 505.02 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-chlorophenyl)imino-3-(3-morpholin-4-ylpropyl)-4-oxo-1,3-thiazolidin-5-yl]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 5041223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).