N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide

C28H30N4O2S — CID 4204136

About N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide

N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide (PubChem CID 4204136) has the molecular formula C28H30N4O2S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 4204136
• Molecular Formula: C28H30N4O2S
• Molecular Weight: 486.64 g/mol
• Exact Mass: 486.21
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide
• SMILES: Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2c(C)cccc2C)C(=O)N1CCc1ccccn1
• InChI: InChI=1S/C28H30N4O2S/c1-18-9-7-10-19(2)25(18)30-24(33)17-23-27(34)32(16-14-22-13-5-6-15-29-22)28(35-23)31-26-20(3)11-8-12-21(26)4/h5-13,15,23H,14,16-17H2,1-4H3,(H,30,33)/b31-28-
• InChIKey: PXLJBPCMMZGZLH-PNOGMODKSA-N
• XLogP: 5.52
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.64
LogP ≤ 5	5.52
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-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide (CID 4204136) is N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide is Cc1cccc(C)c1/N=C1\SC(CC(=O)Nc2c(C)cccc2C)C(=O)N1CCc1ccccn1.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is PXLJBPCMMZGZLH-PNOGMODKSA-N. The full InChI is InChI=1S/C28H30N4O2S/c1-18-9-7-10-19(2)25(18)30-24(33)17-23-27(34)32(16-14-22-13-5-6-15-29-22)28(35-23)31-26-20(3)11-8-12-21(26)4/h5-13,15,23H,14,16-17H2,1-4H3,(H,30,33)/b31-28-.

What are the key properties of N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide?

N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 486.64 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[2-(2,6-dimethylphenyl)imino-4-oxo-3-(2-pyridin-2-ylethyl)-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 4204136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).