2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

C15H14N4OS — CID 2812128

IUPAC2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H14N4OS/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2
InChIKeyZADPEIZPRNMNFR-UHFFFAOYSA-N
MW298.37 g/mol
LogP1.98
Rot. Bonds2

About 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile

2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 2812128) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID2812128
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H14N4OS/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2
InChIKeyZADPEIZPRNMNFR-UHFFFAOYSA-N
XLogP1.98
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile (CID 2812128) is 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ZADPEIZPRNMNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c16-11-12-3-1-5-17-14(12)18-6-8-19(9-7-18)15(20)13-4-2-10-21-13/h1-5,10H,6-9H2.
What are the key properties of 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 298.37 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 2812128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).