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

C15H17N5O2S2 — CID 99935372

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone (PubChem CID 99935372) has the molecular formula C15H17N5O2S2 and a molecular weight of 363.47 g/mol. Its IUPAC name is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
• PubChem CID: 99935372
• Molecular Formula: C15H17N5O2S2
• Molecular Weight: 363.47 g/mol
• Exact Mass: 363.08
• IUPAC Name: 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone
• SMILES: Nc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)s1
• InChI: InChI=1S/C15H17N5O2S2/c16-14-18-19-15(24-14)23-9-12(21)20-7-3-4-10(8-20)13(22)11-5-1-2-6-17-11/h1-2,5-6,10H,3-4,7-9H2,(H2,16,18)/t10-/m1/s1
• InChIKey: TZZIRKFTCBHCEQ-SNVBAGLBSA-N
• XLogP: 1.73
• TPSA: 102.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.47
LogP ≤ 5	1.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone (CID 99935372) is 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone.

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

The canonical SMILES for 2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone is Nc1nnc(SCC(=O)N2CCC[C@@H](C(=O)c3ccccn3)C2)s1.

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

The InChIKey is TZZIRKFTCBHCEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N5O2S2/c16-14-18-19-15(24-14)23-9-12(21)20-7-3-4-10(8-20)13(22)11-5-1-2-6-17-11/h1-2,5-6,10H,3-4,7-9H2,(H2,16,18)/t10-/m1/s1.

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

2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone has a molecular weight of 363.47 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 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]-1-[(3R)-3-(pyridine-2-carbonyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 99935372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).