2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole

C13H10N4OS — CID 1467926

IUPAC2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1cc(CSc2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C13H10N4OS/c1-5-14-6-2-10(1)9-19-13-17-16-12(18-13)11-3-7-15-8-4-11/h1-8H,9H2
InChIKeyJQCJQUCBRCRWSP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.82
Rot. Bonds4

About 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole

2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole (PubChem CID 1467926) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole
PubChem CID1467926
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole
SMILESc1cc(CSc2nnc(-c3ccncc3)o2)ccn1
InChIInChI=1S/C13H10N4OS/c1-5-14-6-2-10(1)9-19-13-17-16-12(18-13)11-3-7-15-8-4-11/h1-8H,9H2
InChIKeyJQCJQUCBRCRWSP-UHFFFAOYSA-N
XLogP2.82
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole (CID 1467926) is 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole is c1cc(CSc2nnc(-c3ccncc3)o2)ccn1.
What is the InChIKey of 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
The InChIKey is JQCJQUCBRCRWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-5-14-6-2-10(1)9-19-13-17-16-12(18-13)11-3-7-15-8-4-11/h1-8H,9H2.
What are the key properties of 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole?
2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole has a molecular weight of 270.32 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-5-(pyridin-4-ylmethylsulfanyl)-1,3,4-oxadiazole is sourced from PubChem (CID 1467926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).