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

C23H27N3O2S — CID 1221375

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

2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 1221375) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 1221375
• Molecular Formula: C23H27N3O2S
• Molecular Weight: 409.56 g/mol
• Exact Mass: 409.18
• IUPAC Name: 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide
• SMILES: Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c1
• InChI: InChI=1S/C23H27N3O2S/c1-14(2)17-6-8-18(9-7-17)24-21(27)13-20-22(28)26(5)23(29-20)25-19-11-15(3)10-16(4)12-19/h6-12,14,20H,13H2,1-5H3,(H,24,27)/b25-23-/t20-/m1/s1
• InChIKey: IFBMDKLYOIQIOM-KHUIZHDGSA-N
• XLogP: 5.02
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.56
LogP ≤ 5	5.02
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-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 1221375) is 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide.

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

The canonical SMILES for 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is Cc1cc(C)cc(/N=C2\S[C@H](CC(=O)Nc3ccc(C(C)C)cc3)C(=O)N2C)c1.

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

The InChIKey is IFBMDKLYOIQIOM-KHUIZHDGSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-14(2)17-6-8-18(9-7-17)24-21(27)13-20-22(28)26(5)23(29-20)25-19-11-15(3)10-16(4)12-19/h6-12,14,20H,13H2,1-5H3,(H,24,27)/b25-23-/t20-/m1/s1.

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

2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 409.56 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-(3,5-dimethylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 1221375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).