6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

C12H6N4OS — CID 71876923

IUPAC6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3cccs3)no2)nc1
InChIInChI=1S/C12H6N4OS/c13-6-8-3-4-9(14-7-8)12-15-11(16-17-12)10-2-1-5-18-10/h1-5,7H
InChIKeyOMWDQASGDRAIDM-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.73
Rot. Bonds2

About 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile

6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (PubChem CID 71876923) has the molecular formula C12H6N4OS and a molecular weight of 254.27 g/mol. Its IUPAC name is 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
PubChem CID71876923
Molecular FormulaC12H6N4OS
Molecular Weight254.27 g/mol
Exact Mass254.03
IUPAC Name6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
SMILESN#Cc1ccc(-c2nc(-c3cccs3)no2)nc1
InChIInChI=1S/C12H6N4OS/c13-6-8-3-4-9(14-7-8)12-15-11(16-17-12)10-2-1-5-18-10/h1-5,7H
InChIKeyOMWDQASGDRAIDM-UHFFFAOYSA-N
XLogP2.73
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-iodo-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 112572198
6-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 71921724
6-[3-(3,5-dibromo-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 106526743
3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1H-pyridazin-6-one
CID 94069171
4-cyano-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 51096359
6-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 113233892
6-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile
CID 106525265
5-(4-methylpyrimidin-5-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 99130250
[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]methanamine
CID 66380521
6-[3-[2-(methylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-3-carbonitrile
CID 63748662
N-(4-cyanophenyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51229421
6-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 133293696

Frequently Asked Questions

What is the IUPAC name of 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The IUPAC name of 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile (CID 71876923) is 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is N#Cc1ccc(-c2nc(-c3cccs3)no2)nc1.
What is the InChIKey of 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
The InChIKey is OMWDQASGDRAIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4OS/c13-6-8-3-4-9(14-7-8)12-15-11(16-17-12)10-2-1-5-18-10/h1-5,7H.
What are the key properties of 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile?
6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile has a molecular weight of 254.27 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 71876923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).