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

C11H10N4OS — CID 106525431

IUPAC4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCSCc1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C11H10N4OS/c1-2-17-7-10-14-11(16-15-10)8-3-4-13-9(5-8)6-12/h3-5H,2,7H2,1H3
InChIKeyUQQXPMYAEPHEGV-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.26
Rot. Bonds4

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

4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (PubChem CID 106525431) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
PubChem CID106525431
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
SMILESCCSCc1noc(-c2ccnc(C#N)c2)n1
InChIInChI=1S/C11H10N4OS/c1-2-17-7-10-14-11(16-15-10)8-3-4-13-9(5-8)6-12/h3-5H,2,7H2,1H3
InChIKeyUQQXPMYAEPHEGV-UHFFFAOYSA-N
XLogP2.26
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525323
4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526282
4-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106523839
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525481
4-[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525156
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526813
4-[3-[(4-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 66064570
4-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 65136886
4-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106524634
4-[3-(5-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106526177
4-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 106525764
N-methyl-2-[5-(2-methyl-4-pyridinyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106754029

Frequently Asked Questions

What is the IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The IUPAC name of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile (CID 106525431) is 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is CCSCc1noc(-c2ccnc(C#N)c2)n1.
What is the InChIKey of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
The InChIKey is UQQXPMYAEPHEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c1-2-17-7-10-14-11(16-15-10)8-3-4-13-9(5-8)6-12/h3-5H,2,7H2,1H3.
What are the key properties of 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile?
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile has a molecular weight of 246.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 106525431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).