2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

C22H24ClN3O2S — CID 40830577

About 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 40830577) has the molecular formula C22H24ClN3O2S and a molecular weight of 429.97 g/mol. Its IUPAC name is 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 40830577
• Molecular Formula: C22H24ClN3O2S
• Molecular Weight: 429.97 g/mol
• Exact Mass: 429.13
• IUPAC Name: 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1
• InChI: InChI=1S/C22H24ClN3O2S/c1-12-8-14(3)20(15(4)9-12)25-19(27)11-18-21(28)26(5)22(29-18)24-17-7-6-16(23)10-13(17)2/h6-10,18H,11H2,1-5H3,(H,25,27)/b24-22+/t18-/m1/s1
• InChIKey: UHTGJRLKEMQTEK-RWUVGJFLSA-N
• XLogP: 5.16
• TPSA: 61.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	429.97
LogP ≤ 5	5.16
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-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 40830577) is 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)C[C@H]2S/C(=N/c3ccc(Cl)cc3C)N(C)C2=O)c(C)c1.

What is the InChIKey of 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is UHTGJRLKEMQTEK-RWUVGJFLSA-N. The full InChI is InChI=1S/C22H24ClN3O2S/c1-12-8-14(3)20(15(4)9-12)25-19(27)11-18-21(28)26(5)22(29-18)24-17-7-6-16(23)10-13(17)2/h6-10,18H,11H2,1-5H3,(H,25,27)/b24-22+/t18-/m1/s1.

What are the key properties of 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide?

2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 429.97 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-2-(4-chloro-2-methylphenyl)imino-3-methyl-4-oxo-1,3-thiazolidin-5-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 40830577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).