N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

C25H25N3O2S — CID 21368929

About N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide

N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (PubChem CID 21368929) has the molecular formula C25H25N3O2S and a molecular weight of 431.56 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

• Compound Name: N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
• PubChem CID: 21368929
• Molecular Formula: C25H25N3O2S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.17
• IUPAC Name: N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide
• SMILES: CCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)S/C1=N\c1cccc2ccccc12
• InChI: InChI=1S/C25H25N3O2S/c1-4-28-24(30)22(15-23(29)26-19-13-16(2)12-17(3)14-19)31-25(28)27-21-11-7-9-18-8-5-6-10-20(18)21/h5-14,22H,4,15H2,1-3H3,(H,26,29)/b27-25-
• InChIKey: LNIWJSBLJFYUBE-RFBIWTDZSA-N
• XLogP: 5.44
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	5.44
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 N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?

The IUPAC name of N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide (CID 21368929) is N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide.

What is the SMILES notation for N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?

The canonical SMILES for N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is CCN1C(=O)C(CC(=O)Nc2cc(C)cc(C)c2)S/C1=N\c1cccc2ccccc12.

What is the InChIKey of N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?

The InChIKey is LNIWJSBLJFYUBE-RFBIWTDZSA-N. The full InChI is InChI=1S/C25H25N3O2S/c1-4-28-24(30)22(15-23(29)26-19-13-16(2)12-17(3)14-19)31-25(28)27-21-11-7-9-18-8-5-6-10-20(18)21/h5-14,22H,4,15H2,1-3H3,(H,26,29)/b27-25-.

What are the key properties of N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide?

N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 431.56 g/mol, XLogP of 5.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethylphenyl)-2-(3-ethyl-2-naphthalen-1-ylimino-4-oxo-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 21368929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).