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

C24H27N3O2S — CID 8715661

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

2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 8715661) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 8715661
• Molecular Formula: C24H27N3O2S
• Molecular Weight: 421.57 g/mol
• Exact Mass: 421.18
• IUPAC Name: 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide
• SMILES: Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1
• InChI: InChI=1S/C24H27N3O2S/c1-14-5-7-16(3)19(11-14)25-22(28)13-21-23(29)27(18-9-10-18)24(30-21)26-20-12-15(2)6-8-17(20)4/h5-8,11-12,18,21H,9-10,13H2,1-4H3,(H,25,28)/b26-24-/t21-/m0/s1
• InChIKey: RTCCWEBVDGDEQG-TYGLDRHGSA-N
• XLogP: 5.04
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.57
LogP ≤ 5	5.04
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-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide (CID 8715661) is 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(/N=C2\S[C@@H](CC(=O)Nc3cc(C)ccc3C)C(=O)N2C2CC2)c1.

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

The InChIKey is RTCCWEBVDGDEQG-TYGLDRHGSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-14-5-7-16(3)19(11-14)25-22(28)13-21-23(29)27(18-9-10-18)24(30-21)26-20-12-15(2)6-8-17(20)4/h5-8,11-12,18,21H,9-10,13H2,1-4H3,(H,25,28)/b26-24-/t21-/m0/s1.

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

2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 421.57 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5S)-3-cyclopropyl-2-(2,5-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 8715661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).