2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

C16H19N9OS — CID 133455507

About 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 133455507) has the molecular formula C16H19N9OS and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
• PubChem CID: 133455507
• Molecular Formula: C16H19N9OS
• Molecular Weight: 385.46 g/mol
• Exact Mass: 385.14
• IUPAC Name: 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide
• SMILES: Cc1nccn1-c1cncc(N2CCN(CC(=O)Nc3nncs3)CC2)n1
• InChI: InChI=1S/C16H19N9OS/c1-12-18-2-3-25(12)14-9-17-8-13(20-14)24-6-4-23(5-7-24)10-15(26)21-16-22-19-11-27-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22,26)
• InChIKey: GHECCVSXVCLEDE-UHFFFAOYSA-N
• XLogP: 0.58
• TPSA: 104.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.46
LogP ≤ 5	0.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?

The IUPAC name of 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 133455507) is 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide.

What is the SMILES notation for 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?

The canonical SMILES for 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is Cc1nccn1-c1cncc(N2CCN(CC(=O)Nc3nncs3)CC2)n1.

What is the InChIKey of 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?

The InChIKey is GHECCVSXVCLEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N9OS/c1-12-18-2-3-25(12)14-9-17-8-13(20-14)24-6-4-23(5-7-24)10-15(26)21-16-22-19-11-27-16/h2-3,8-9,11H,4-7,10H2,1H3,(H,21,22,26).

What are the key properties of 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide?

2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 385.46 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 133455507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).