2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

C28H24N4O2S — CID 42993815

About 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide

2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (PubChem CID 42993815) has the molecular formula C28H24N4O2S and a molecular weight of 480.59 g/mol. Its IUPAC name is 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
• PubChem CID: 42993815
• Molecular Formula: C28H24N4O2S
• Molecular Weight: 480.59 g/mol
• Exact Mass: 480.16
• IUPAC Name: 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide
• SMILES: Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1
• InChI: InChI=1S/C28H24N4O2S/c1-19-9-12-22(13-10-19)31-28-32(18-24-8-4-5-15-29-24)27(34)25(35-28)17-26(33)30-23-14-11-20-6-2-3-7-21(20)16-23/h2-16,25H,17-18H2,1H3,(H,30,33)/b31-28-
• InChIKey: YFSHOECEVPPNJB-PNOGMODKSA-N
• XLogP: 5.70
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.59
LogP ≤ 5	5.70
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 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide?

The IUPAC name of 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide (CID 42993815) is 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide.

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

The canonical SMILES for 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is Cc1ccc(/N=C2\SC(CC(=O)Nc3ccc4ccccc4c3)C(=O)N2Cc2ccccn2)cc1.

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

The InChIKey is YFSHOECEVPPNJB-PNOGMODKSA-N. The full InChI is InChI=1S/C28H24N4O2S/c1-19-9-12-22(13-10-19)31-28-32(18-24-8-4-5-15-29-24)27(34)25(35-28)17-26(33)30-23-14-11-20-6-2-3-7-21(20)16-23/h2-16,25H,17-18H2,1H3,(H,30,33)/b31-28-.

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

2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide has a molecular weight of 480.59 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-(4-methylphenyl)imino-4-oxo-3-(pyridin-2-ylmethyl)-1,3-thiazolidin-5-yl]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 42993815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).