N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

C25H22F2N4O2S — CID 42993972

About N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide

N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 42993972) has the molecular formula C25H22F2N4O2S and a molecular weight of 480.54 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 42993972
• Molecular Formula: C25H22F2N4O2S
• Molecular Weight: 480.54 g/mol
• Exact Mass: 480.14
• IUPAC Name: N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide
• SMILES: Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c(C)c1
• InChI: InChI=1S/C25H22F2N4O2S/c1-15-6-8-20(16(2)11-15)30-25-31(14-18-5-3-4-10-28-18)24(33)22(34-25)13-23(32)29-21-9-7-17(26)12-19(21)27/h3-12,22H,13-14H2,1-2H3,(H,29,32)/b30-25-
• InChIKey: WOYZNICTPMPITQ-JVCXMKTPSA-N
• XLogP: 5.14
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.54
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide (CID 42993972) is N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide.

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

The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc(F)cc3F)C(=O)N2Cc2ccccn2)c(C)c1.

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

The InChIKey is WOYZNICTPMPITQ-JVCXMKTPSA-N. The full InChI is InChI=1S/C25H22F2N4O2S/c1-15-6-8-20(16(2)11-15)30-25-31(14-18-5-3-4-10-28-18)24(33)22(34-25)13-23(32)29-21-9-7-17(26)12-19(21)27/h3-12,22H,13-14H2,1-2H3,(H,29,32)/b30-25-.

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

N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 480.54 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,4-difluorophenyl)-2-[2-(2,4-dimethylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 42993972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).