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

C12H6N4OS2 — CID 18194834

IUPAC2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Sc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H6N4OS2/c13-7-8-3-1-5-14-11(8)19-12-16-15-10(17-12)9-4-2-6-18-9/h1-6H
InChIKeyCETPAHHOGPGFJC-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.22
Rot. Bonds3

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

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (PubChem CID 18194834) has the molecular formula C12H6N4OS2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
PubChem CID18194834
Molecular FormulaC12H6N4OS2
Molecular Weight286.34 g/mol
Exact Mass286.00
IUPAC Name2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1Sc1nnc(-c2cccs2)o1
InChIInChI=1S/C12H6N4OS2/c13-7-8-3-1-5-14-11(8)19-12-16-15-10(17-12)9-4-2-6-18-9/h1-6H
InChIKeyCETPAHHOGPGFJC-UHFFFAOYSA-N
XLogP3.22
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
CID 35525962
2-[4-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031861
2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 134031942
4-[2-hydroxy-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzonitrile
CID 51223108
5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 16767328
5-thiophen-2-yl-1,3,4-oxadiazol-2-olate
CID 51401385
ethane;2-methyl-5-thiophen-2-yl-1,3,4-oxadiazole
CID 143800921
(2S)-N-(4-cyanophenyl)-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 40616881
2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 46544298
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720
3-[(3-methyl-2-pyridinyl)sulfanyl]pyridazine-4-carbonitrile
CID 168908771
methyl 3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanoate
CID 55017257

Frequently Asked Questions

What is the IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile (CID 18194834) is 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is N#Cc1cccnc1Sc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
The InChIKey is CETPAHHOGPGFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N4OS2/c13-7-8-3-1-5-14-11(8)19-12-16-15-10(17-12)9-4-2-6-18-9/h1-6H.
What are the key properties of 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile?
2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile has a molecular weight of 286.34 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 18194834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).