N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide

C24H29N3O2S — CID 1217880

About N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide

N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide (PubChem CID 1217880) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide.

Molecular Properties

• Compound Name: N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
• PubChem CID: 1217880
• Molecular Formula: C24H29N3O2S
• Molecular Weight: 423.58 g/mol
• Exact Mass: 423.20
• IUPAC Name: N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide
• SMILES: CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1
• InChI: InChI=1S/C24H29N3O2S/c1-6-27-23(29)21(14-22(28)26-20-13-16(4)7-8-17(20)5)30-24(27)25-19-11-9-18(10-12-19)15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,26,28)/b25-24-/t21-/m0/s1
• InChIKey: NPTIUJHQTGWUKR-VHAJSEAWSA-N
• XLogP: 5.41
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.58
LogP ≤ 5	5.41
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-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide?

The IUPAC name of N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide (CID 1217880) is N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide.

What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide?

The canonical SMILES for N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide is CCN1C(=O)[C@H](CC(=O)Nc2cc(C)ccc2C)S/C1=N\c1ccc(C(C)C)cc1.

What is the InChIKey of N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide?

The InChIKey is NPTIUJHQTGWUKR-VHAJSEAWSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-6-27-23(29)21(14-22(28)26-20-13-16(4)7-8-17(20)5)30-24(27)25-19-11-9-18(10-12-19)15(2)3/h7-13,15,21H,6,14H2,1-5H3,(H,26,28)/b25-24-/t21-/m0/s1.

What are the key properties of N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide?

N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide has a molecular weight of 423.58 g/mol, XLogP of 5.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,5-dimethylphenyl)-2-[(5S)-3-ethyl-4-oxo-2-(4-propan-2-ylphenyl)imino-1,3-thiazolidin-5-yl]acetamide is sourced from PubChem (CID 1217880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).