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

C12H9N3OS2 — CID 860219

IUPAC2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1cncc(CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C12H9N3OS2/c1-3-9(7-13-5-1)8-18-12-15-14-11(16-12)10-4-2-6-17-10/h1-7H,8H2
InChIKeyIXRYKVFZLJEKPX-UHFFFAOYSA-N
MW275.36 g/mol
LogP3.49
Rot. Bonds4

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

2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole (PubChem CID 860219) has the molecular formula C12H9N3OS2 and a molecular weight of 275.36 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole
PubChem CID860219
Molecular FormulaC12H9N3OS2
Molecular Weight275.36 g/mol
Exact Mass275.02
IUPAC Name2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole
SMILESc1cncc(CSc2nnc(-c3cccs3)o2)c1
InChIInChI=1S/C12H9N3OS2/c1-3-9(7-13-5-1)8-18-12-15-14-11(16-12)10-4-2-6-17-10/h1-7H,8H2
InChIKeyIXRYKVFZLJEKPX-UHFFFAOYSA-N
XLogP3.49
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole (CID 860219) is 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole is c1cncc(CSc2nnc(-c3cccs3)o2)c1.
What is the InChIKey of 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
The InChIKey is IXRYKVFZLJEKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3OS2/c1-3-9(7-13-5-1)8-18-12-15-14-11(16-12)10-4-2-6-17-10/h1-7H,8H2.
What are the key properties of 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole?
2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole has a molecular weight of 275.36 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylsulfanyl)-5-thiophen-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 860219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).