2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C15H18N8O2S — CID 50971714

About 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 50971714) has the molecular formula C15H18N8O2S and a molecular weight of 374.43 g/mol. Its IUPAC name is 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
• PubChem CID: 50971714
• Molecular Formula: C15H18N8O2S
• Molecular Weight: 374.43 g/mol
• Exact Mass: 374.13
• IUPAC Name: 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
• SMILES: COCc1nnc(NC(=O)CN2CCN(c3nccnc3C#N)CC2)s1
• InChI: InChI=1S/C15H18N8O2S/c1-25-10-13-20-21-15(26-13)19-12(24)9-22-4-6-23(7-5-22)14-11(8-16)17-2-3-18-14/h2-3H,4-7,9-10H2,1H3,(H,19,21,24)
• InChIKey: GSQUITFKFRFRJM-UHFFFAOYSA-N
• XLogP: 0.11
• TPSA: 120.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.43
LogP ≤ 5	0.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The IUPAC name of 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 50971714) is 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

What is the SMILES notation for 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The canonical SMILES for 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)CN2CCN(c3nccnc3C#N)CC2)s1.

What is the InChIKey of 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?

The InChIKey is GSQUITFKFRFRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8O2S/c1-25-10-13-20-21-15(26-13)19-12(24)9-22-4-6-23(7-5-22)14-11(8-16)17-2-3-18-14/h2-3H,4-7,9-10H2,1H3,(H,19,21,24).

What are the key properties of 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?

2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 374.43 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(3-cyanopyrazin-2-yl)piperazin-1-yl]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 50971714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).