2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide

C22H19Cl2F2N3O2S — CID 4584577

About 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide

2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 4584577) has the molecular formula C22H19Cl2F2N3O2S and a molecular weight of 498.38 g/mol. Its IUPAC name is 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
• PubChem CID: 4584577
• Molecular Formula: C22H19Cl2F2N3O2S
• Molecular Weight: 498.38 g/mol
• Exact Mass: 497.05
• IUPAC Name: 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide
• SMILES: O=C(CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F
• InChI: InChI=1S/C22H19Cl2F2N3O2S/c23-15-7-6-13(10-16(15)24)27-22-29(14-3-1-2-4-14)21(31)19(32-22)11-20(30)28-18-8-5-12(25)9-17(18)26/h5-10,14,19H,1-4,11H2,(H,28,30)/b27-22-
• InChIKey: KWXLGJJBZTXZPB-QYQHSDTDSA-N
• XLogP: 6.17
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.38
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide?

The IUPAC name of 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide (CID 4584577) is 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide.

What is the SMILES notation for 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide?

The canonical SMILES for 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide is O=C(CC1S/C(=N\c2ccc(Cl)c(Cl)c2)N(C2CCCC2)C1=O)Nc1ccc(F)cc1F.

What is the InChIKey of 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide?

The InChIKey is KWXLGJJBZTXZPB-QYQHSDTDSA-N. The full InChI is InChI=1S/C22H19Cl2F2N3O2S/c23-15-7-6-13(10-16(15)24)27-22-29(14-3-1-2-4-14)21(31)19(32-22)11-20(30)28-18-8-5-12(25)9-17(18)26/h5-10,14,19H,1-4,11H2,(H,28,30)/b27-22-.

What are the key properties of 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide?

2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 498.38 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyclopentyl-2-(3,4-dichlorophenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 4584577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).