2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide

C22H17Cl2N3O2S — CID 45145516

About 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide

2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (PubChem CID 45145516) has the molecular formula C22H17Cl2N3O2S and a molecular weight of 458.37 g/mol. Its IUPAC name is 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
• PubChem CID: 45145516
• Molecular Formula: C22H17Cl2N3O2S
• Molecular Weight: 458.37 g/mol
• Exact Mass: 457.04
• IUPAC Name: 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide
• SMILES: CN1C(=O)C(CC(=O)Nc2cccc3ccccc23)S/C1=N\c1cc(Cl)ccc1Cl
• InChI: InChI=1S/C22H17Cl2N3O2S/c1-27-21(29)19(30-22(27)26-18-11-14(23)9-10-16(18)24)12-20(28)25-17-8-4-6-13-5-2-3-7-15(13)17/h2-11,19H,12H2,1H3,(H,25,28)/b26-22-
• InChIKey: KFWZQJLWOIUKIR-ROMGYVFFSA-N
• XLogP: 5.74
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.37
LogP ≤ 5	5.74
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-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?

The IUPAC name of 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide (CID 45145516) is 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide.

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

The canonical SMILES for 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is CN1C(=O)C(CC(=O)Nc2cccc3ccccc23)S/C1=N\c1cc(Cl)ccc1Cl.

What is the InChIKey of 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide?

The InChIKey is KFWZQJLWOIUKIR-ROMGYVFFSA-N. The full InChI is InChI=1S/C22H17Cl2N3O2S/c1-27-21(29)19(30-22(27)26-18-11-14(23)9-10-16(18)24)12-20(28)25-17-8-4-6-13-5-2-3-7-15(13)17/h2-11,19H,12H2,1H3,(H,25,28)/b26-22-.

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

2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide has a molecular weight of 458.37 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(2,5-dichlorophenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-naphthalen-1-ylacetamide is sourced from PubChem (CID 45145516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).