1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

C17H26N6O2S — CID 72864710

About 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 72864710) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• PubChem CID: 72864710
• Molecular Formula: C17H26N6O2S
• Molecular Weight: 378.50 g/mol
• Exact Mass: 378.18
• IUPAC Name: 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
• SMILES: Cc1nnc(SCC(=O)N2CCCC(c3nccn3CCN(C)C)C2)o1
• InChI: InChI=1S/C17H26N6O2S/c1-13-19-20-17(25-13)26-12-15(24)23-7-4-5-14(11-23)16-18-6-8-22(16)10-9-21(2)3/h6,8,14H,4-5,7,9-12H2,1-3H3
• InChIKey: CQWHGSOMQRANCJ-UHFFFAOYSA-N
• XLogP: 1.63
• TPSA: 80.29 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.50
LogP ≤ 5	1.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The IUPAC name of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 72864710) is 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

What is the SMILES notation for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The canonical SMILES for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is Cc1nnc(SCC(=O)N2CCCC(c3nccn3CCN(C)C)C2)o1.

What is the InChIKey of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

The InChIKey is CQWHGSOMQRANCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-13-19-20-17(25-13)26-12-15(24)23-7-4-5-14(11-23)16-18-6-8-22(16)10-9-21(2)3/h6,8,14H,4-5,7,9-12H2,1-3H3.

What are the key properties of 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?

1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 378.50 g/mol, XLogP of 1.63, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 72864710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).