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

C18H18N6OS — CID 134031942

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

2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 134031942) has the molecular formula C18H18N6OS and a molecular weight of 366.45 g/mol. Its IUPAC name is 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
• PubChem CID: 134031942
• Molecular Formula: C18H18N6OS
• Molecular Weight: 366.45 g/mol
• Exact Mass: 366.13
• IUPAC Name: 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
• SMILES: CC(c1nnc(-c2cccs2)o1)N1CCN(c2ncccc2C#N)CC1
• InChI: InChI=1S/C18H18N6OS/c1-13(17-21-22-18(25-17)15-5-3-11-26-15)23-7-9-24(10-8-23)16-14(12-19)4-2-6-20-16/h2-6,11,13H,7-10H2,1H3
• InChIKey: VSDXQSATWQWFOL-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 82.08 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	366.45
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 134031942) is 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile.

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

The canonical SMILES for 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is CC(c1nnc(-c2cccs2)o1)N1CCN(c2ncccc2C#N)CC1.

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

The InChIKey is VSDXQSATWQWFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS/c1-13(17-21-22-18(25-17)15-5-3-11-26-15)23-7-9-24(10-8-23)16-14(12-19)4-2-6-20-16/h2-6,11,13H,7-10H2,1H3.

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

2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 366.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 134031942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).