2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide

C25H32N4O2S — CID 2413930

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

2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 2413930) has the molecular formula C25H32N4O2S and a molecular weight of 452.62 g/mol. Its IUPAC name is 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
• PubChem CID: 2413930
• Molecular Formula: C25H32N4O2S
• Molecular Weight: 452.62 g/mol
• Exact Mass: 452.22
• IUPAC Name: 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide
• SMILES: Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCN(C)C
• InChI: InChI=1S/C25H32N4O2S/c1-16-9-7-10-17(2)22(16)26-21(30)15-20-24(31)29(14-13-28(5)6)25(32-20)27-23-18(3)11-8-12-19(23)4/h7-12,20H,13-15H2,1-6H3,(H,26,30)/b27-25-/t20-/m1/s1
• InChIKey: CUYJPXXIJLVBJO-PCCZYRSZSA-N
• XLogP: 4.44
• TPSA: 65.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.62
LogP ≤ 5	4.44
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 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide?

The IUPAC name of 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide (CID 2413930) is 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide is Cc1cccc(C)c1/N=C1\S[C@H](CC(=O)Nc2c(C)cccc2C)C(=O)N1CCN(C)C.

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

The InChIKey is CUYJPXXIJLVBJO-PCCZYRSZSA-N. The full InChI is InChI=1S/C25H32N4O2S/c1-16-9-7-10-17(2)22(16)26-21(30)15-20-24(31)29(14-13-28(5)6)25(32-20)27-23-18(3)11-8-12-19(23)4/h7-12,20H,13-15H2,1-6H3,(H,26,30)/b27-25-/t20-/m1/s1.

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

2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 452.62 g/mol, XLogP of 4.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5R)-3-[2-(dimethylamino)ethyl]-2-(2,6-dimethylphenyl)imino-4-oxo-1,3-thiazolidin-5-yl]-N-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 2413930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).