2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole

C13H7F3N4OS — CID 17421438

IUPAC2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Sc2nnc(-c3ccncc3)o2)nc1
InChIInChI=1S/C13H7F3N4OS/c14-13(15,16)9-1-2-10(18-7-9)22-12-20-19-11(21-12)8-3-5-17-6-4-8/h1-7H
InChIKeyGWFVBZATLQBTAT-UHFFFAOYSA-N
MW324.29 g/mol
LogP3.70
Rot. Bonds3

About 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole

2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole (PubChem CID 17421438) has the molecular formula C13H7F3N4OS and a molecular weight of 324.29 g/mol. Its IUPAC name is 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole
PubChem CID17421438
Molecular FormulaC13H7F3N4OS
Molecular Weight324.29 g/mol
Exact Mass324.03
IUPAC Name2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole
SMILESFC(F)(F)c1ccc(Sc2nnc(-c3ccncc3)o2)nc1
InChIInChI=1S/C13H7F3N4OS/c14-13(15,16)9-1-2-10(18-7-9)22-12-20-19-11(21-12)8-3-5-17-6-4-8/h1-7H
InChIKeyGWFVBZATLQBTAT-UHFFFAOYSA-N
XLogP3.70
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 53.70
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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole?
The IUPAC name of 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole (CID 17421438) is 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole is FC(F)(F)c1ccc(Sc2nnc(-c3ccncc3)o2)nc1.
What is the InChIKey of 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole?
The InChIKey is GWFVBZATLQBTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N4OS/c14-13(15,16)9-1-2-10(18-7-9)22-12-20-19-11(21-12)8-3-5-17-6-4-8/h1-7H.
What are the key properties of 2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole?
2-pyridin-4-yl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole has a molecular weight of 324.29 g/mol, XLogP of 3.70, 3 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-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-1,3,4-oxadiazole is sourced from PubChem (CID 17421438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).