2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide

C19H25Cl2N3O2S — CID 5108400

About 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide

2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide (PubChem CID 5108400) has the molecular formula C19H25Cl2N3O2S and a molecular weight of 430.40 g/mol. Its IUPAC name is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide
• PubChem CID: 5108400
• Molecular Formula: C19H25Cl2N3O2S
• Molecular Weight: 430.40 g/mol
• Exact Mass: 429.10
• IUPAC Name: 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide
• SMILES: CCCC/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1CCCC
• InChI: InChI=1S/C19H25Cl2N3O2S/c1-3-5-9-22-19-24(10-6-4-2)18(26)16(27-19)12-17(25)23-15-8-7-13(20)11-14(15)21/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,23,25)/b22-19-
• InChIKey: SQOWOSFSKMGGON-QOCHGBHMSA-N
• XLogP: 5.22
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.40
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide?

The IUPAC name of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide (CID 5108400) is 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide.

What is the SMILES notation for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide?

The canonical SMILES for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide is CCCC/N=C1\SC(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N1CCCC.

What is the InChIKey of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide?

The InChIKey is SQOWOSFSKMGGON-QOCHGBHMSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2S/c1-3-5-9-22-19-24(10-6-4-2)18(26)16(27-19)12-17(25)23-15-8-7-13(20)11-14(15)21/h7-8,11,16H,3-6,9-10,12H2,1-2H3,(H,23,25)/b22-19-.

What are the key properties of 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide?

2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide has a molecular weight of 430.40 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-butyl-2-butylimino-4-oxo-1,3-thiazolidin-5-yl)-N-(2,4-dichlorophenyl)acetamide is sourced from PubChem (CID 5108400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).