2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

C15H18N6OS2 — CID 77089289

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (PubChem CID 77089289) has the molecular formula C15H18N6OS2 and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
• PubChem CID: 77089289
• Molecular Formula: C15H18N6OS2
• Molecular Weight: 362.48 g/mol
• Exact Mass: 362.10
• IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide
• SMILES: CC(C)n1c(CNC(=O)CSc2nnc(N)s2)nc2ccccc21
• InChI: InChI=1S/C15H18N6OS2/c1-9(2)21-11-6-4-3-5-10(11)18-12(21)7-17-13(22)8-23-15-20-19-14(16)24-15/h3-6,9H,7-8H2,1-2H3,(H2,16,19)(H,17,22)
• InChIKey: WUZVARUIAFBXIQ-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 98.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.48
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide (CID 77089289) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide.

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

The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is CC(C)n1c(CNC(=O)CSc2nnc(N)s2)nc2ccccc21.

What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide?

The InChIKey is WUZVARUIAFBXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6OS2/c1-9(2)21-11-6-4-3-5-10(11)18-12(21)7-17-13(22)8-23-15-20-19-14(16)24-15/h3-6,9H,7-8H2,1-2H3,(H2,16,19)(H,17,22).

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[(1-propan-2-ylbenzimidazol-2-yl)methyl]acetamide is sourced from PubChem (CID 77089289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).