2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole

C9H9N3OS — CID 930897

IUPAC2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C9H9N3OS/c1-2-14-9-12-11-8(13-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3
InChIKeyPGYGBBSAPUEERV-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.24
Rot. Bonds3

About 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole

2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 930897) has the molecular formula C9H9N3OS and a molecular weight of 207.26 g/mol. Its IUPAC name is 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID930897
Molecular FormulaC9H9N3OS
Molecular Weight207.26 g/mol
Exact Mass207.05
IUPAC Name2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCSc1nnc(-c2ccncc2)o1
InChIInChI=1S/C9H9N3OS/c1-2-14-9-12-11-8(13-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3
InChIKeyPGYGBBSAPUEERV-UHFFFAOYSA-N
XLogP2.24
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole (CID 930897) is 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole is CCSc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is PGYGBBSAPUEERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3OS/c1-2-14-9-12-11-8(13-9)7-3-5-10-6-4-7/h3-6H,2H2,1H3.
What are the key properties of 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole?
2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 207.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 930897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).