2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

C16H18N6OS2 — CID 124756082

About 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 124756082) has the molecular formula C16H18N6OS2 and a molecular weight of 374.50 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
• PubChem CID: 124756082
• Molecular Formula: C16H18N6OS2
• Molecular Weight: 374.50 g/mol
• Exact Mass: 374.10
• IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
• SMILES: Nc1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1
• InChI: InChI=1S/C16H18N6OS2/c17-15-20-21-16(25-15)24-9-13(23)22-7-3-4-10(8-22)14-18-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2,(H2,17,20)(H,18,19)/t10-/m1/s1
• InChIKey: RRSRRZLKKMCAQT-SNVBAGLBSA-N
• XLogP: 2.49
• TPSA: 100.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.50
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?

The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (CID 124756082) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?

The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is Nc1nnc(SCC(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)s1.

What is the InChIKey of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?

The InChIKey is RRSRRZLKKMCAQT-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N6OS2/c17-15-20-21-16(25-15)24-9-13(23)22-7-3-4-10(8-22)14-18-11-5-1-2-6-12(11)19-14/h1-2,5-6,10H,3-4,7-9H2,(H2,17,20)(H,18,19)/t10-/m1/s1.

What are the key properties of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 374.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 124756082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).