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

C26H26N4OS — CID 4670123

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

2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide (PubChem CID 4670123) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide
• PubChem CID: 4670123
• Molecular Formula: C26H26N4OS
• Molecular Weight: 442.59 g/mol
• Exact Mass: 442.18
• IUPAC Name: 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CN(Cc2ccccc2)c2nc(Cc3ccccc3)ns2)cc1C
• InChI: InChI=1S/C26H26N4OS/c1-19-13-14-23(15-20(19)2)27-25(31)18-30(17-22-11-7-4-8-12-22)26-28-24(29-32-26)16-21-9-5-3-6-10-21/h3-15H,16-18H2,1-2H3,(H,27,31)
• InChIKey: MHAGJUOMEJENPD-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.59
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide (CID 4670123) is 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide.

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

The canonical SMILES for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(Cc2ccccc2)c2nc(Cc3ccccc3)ns2)cc1C.

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

The InChIKey is MHAGJUOMEJENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-19-13-14-23(15-20(19)2)27-25(31)18-30(17-22-11-7-4-8-12-22)26-28-24(29-32-26)16-21-9-5-3-6-10-21/h3-15H,16-18H2,1-2H3,(H,27,31).

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

2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 442.59 g/mol, XLogP of 5.39, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[benzyl-(3-benzyl-1,2,4-thiadiazol-5-yl)amino]-N-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 4670123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).