2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide

C24H29N3OS — CID 78822945

About 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide

2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 78822945) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
• PubChem CID: 78822945
• Molecular Formula: C24H29N3OS
• Molecular Weight: 407.58 g/mol
• Exact Mass: 407.20
• IUPAC Name: 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide
• SMILES: Cc1ccc(C)c(NC(=O)Cc2nc(CN(Cc3ccccc3)C(C)C)cs2)c1
• InChI: InChI=1S/C24H29N3OS/c1-17(2)27(14-20-8-6-5-7-9-20)15-21-16-29-24(25-21)13-23(28)26-22-12-18(3)10-11-19(22)4/h5-12,16-17H,13-15H2,1-4H3,(H,26,28)
• InChIKey: XGWLWQHNWVKTMY-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	407.58
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?

The IUPAC name of 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide (CID 78822945) is 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide.

What is the SMILES notation for 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?

The canonical SMILES for 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2nc(CN(Cc3ccccc3)C(C)C)cs2)c1.

What is the InChIKey of 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?

The InChIKey is XGWLWQHNWVKTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c1-17(2)27(14-20-8-6-5-7-9-20)15-21-16-29-24(25-21)13-23(28)26-22-12-18(3)10-11-19(22)4/h5-12,16-17H,13-15H2,1-4H3,(H,26,28).

What are the key properties of 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide?

2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 407.58 g/mol, XLogP of 5.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[benzyl(propan-2-yl)amino]methyl]-1,3-thiazol-2-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 78822945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).