N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide

C18H20N8O2S2 — CID 123791625

About N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide

N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide (PubChem CID 123791625) has the molecular formula C18H20N8O2S2 and a molecular weight of 444.55 g/mol. Its IUPAC name is N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide.

Molecular Properties

• Compound Name: N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide
• PubChem CID: 123791625
• Molecular Formula: C18H20N8O2S2
• Molecular Weight: 444.55 g/mol
• Exact Mass: 444.12
• IUPAC Name: N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide
• SMILES: CC(=O)Nc1nnc(C2CCC(Cc3nnc(NC(=O)Cc4cnccn4)s3)C2)s1
• InChI: InChI=1S/C18H20N8O2S2/c1-10(27)21-17-26-24-16(30-17)12-3-2-11(6-12)7-15-23-25-18(29-15)22-14(28)8-13-9-19-4-5-20-13/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,21,26,27)(H,22,25,28)
• InChIKey: ONXGROHVHGRXBV-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 135.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.55
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide?

The IUPAC name of N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide (CID 123791625) is N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide.

What is the SMILES notation for N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide?

The canonical SMILES for N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide is CC(=O)Nc1nnc(C2CCC(Cc3nnc(NC(=O)Cc4cnccn4)s3)C2)s1.

What is the InChIKey of N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide?

The InChIKey is ONXGROHVHGRXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O2S2/c1-10(27)21-17-26-24-16(30-17)12-3-2-11(6-12)7-15-23-25-18(29-15)22-14(28)8-13-9-19-4-5-20-13/h4-5,9,11-12H,2-3,6-8H2,1H3,(H,21,26,27)(H,22,25,28).

What are the key properties of N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide?

N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide has a molecular weight of 444.55 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[[3-(5-acetamido-1,3,4-thiadiazol-2-yl)cyclopentyl]methyl]-1,3,4-thiadiazol-2-yl]-2-pyrazin-2-ylacetamide is sourced from PubChem (CID 123791625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).