2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

C17H16N6OS — CID 134031861

About 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 134031861) has the molecular formula C17H16N6OS and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 134031861
• Molecular Formula: C17H16N6OS
• Molecular Weight: 352.42 g/mol
• Exact Mass: 352.11
• IUPAC Name: 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
• SMILES: N#Cc1cccnc1N1CCN(Cc2nnc(-c3cccs3)o2)CC1
• InChI: InChI=1S/C17H16N6OS/c18-11-13-3-1-5-19-16(13)23-8-6-22(7-9-23)12-15-20-21-17(24-15)14-4-2-10-25-14/h1-5,10H,6-9,12H2
• InChIKey: KCUSXROGBQVWBN-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 82.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.42
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?

The IUPAC name of 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 134031861) is 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile.

What is the SMILES notation for 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?

The canonical SMILES for 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(Cc2nnc(-c3cccs3)o2)CC1.

What is the InChIKey of 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?

The InChIKey is KCUSXROGBQVWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6OS/c18-11-13-3-1-5-19-16(13)23-8-6-22(7-9-23)12-15-20-21-17(24-15)14-4-2-10-25-14/h1-5,10H,6-9,12H2.

What are the key properties of 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile?

2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 352.42 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134031861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).