2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

C16H20N4O2S2 — CID 91778297

About 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (PubChem CID 91778297) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• PubChem CID: 91778297
• Molecular Formula: C16H20N4O2S2
• Molecular Weight: 364.50 g/mol
• Exact Mass: 364.10
• IUPAC Name: 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone
• SMILES: Cc1nnc(SCC(=O)N2CCCC(OCc3ccccn3)C2)s1
• InChI: InChI=1S/C16H20N4O2S2/c1-12-18-19-16(24-12)23-11-15(21)20-8-4-6-14(9-20)22-10-13-5-2-3-7-17-13/h2-3,5,7,14H,4,6,8-11H2,1H3
• InChIKey: ZHHCXZXYQZEYHB-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 68.21 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.50
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The IUPAC name of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone (CID 91778297) is 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone.

What is the SMILES notation for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The canonical SMILES for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is Cc1nnc(SCC(=O)N2CCCC(OCc3ccccn3)C2)s1.

What is the InChIKey of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

The InChIKey is ZHHCXZXYQZEYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c1-12-18-19-16(24-12)23-11-15(21)20-8-4-6-14(9-20)22-10-13-5-2-3-7-17-13/h2-3,5,7,14H,4,6,8-11H2,1H3.

What are the key properties of 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone?

2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone has a molecular weight of 364.50 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]ethanone is sourced from PubChem (CID 91778297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).