2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

C15H10F3N3O2S — CID 18921386

IUPAC2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O2S/c1-24-14-21-20-13(23-14)11-6-3-7-12(19-11)22-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3
InChIKeyDDZICLOGAJJLBC-UHFFFAOYSA-N
MW353.33 g/mol
LogP4.66
Rot. Bonds4

About 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole

2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (PubChem CID 18921386) has the molecular formula C15H10F3N3O2S and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
PubChem CID18921386
Molecular FormulaC15H10F3N3O2S
Molecular Weight353.33 g/mol
Exact Mass353.04
IUPAC Name2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole
SMILESCSc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1
InChIInChI=1S/C15H10F3N3O2S/c1-24-14-21-20-13(23-14)11-6-3-7-12(19-11)22-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3
InChIKeyDDZICLOGAJJLBC-UHFFFAOYSA-N
XLogP4.66
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole (CID 18921386) is 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is CSc1nnc(-c2cccc(Oc3cccc(C(F)(F)F)c3)n2)o1.
What is the InChIKey of 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is DDZICLOGAJJLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S/c1-24-14-21-20-13(23-14)11-6-3-7-12(19-11)22-10-5-2-4-9(8-10)15(16,17)18/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole?
2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 353.33 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 18921386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).