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

C10H8F3N3OS — CID 2795811

IUPAC2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1
InChIInChI=1S/C10H8F3N3OS/c1-5-6(8-15-16-9(17-8)18-2)3-4-7(14-5)10(11,12)13/h3-4H,1-2H3
InChIKeyAOFNOJJLNOMAHQ-UHFFFAOYSA-N
MW275.26 g/mol
LogP3.18
Rot. Bonds2

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

2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (PubChem CID 2795811) has the molecular formula C10H8F3N3OS and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
PubChem CID2795811
Molecular FormulaC10H8F3N3OS
Molecular Weight275.26 g/mol
Exact Mass275.03
IUPAC Name2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1
InChIInChI=1S/C10H8F3N3OS/c1-5-6(8-15-16-9(17-8)18-2)3-4-7(14-5)10(11,12)13/h3-4H,1-2H3
InChIKeyAOFNOJJLNOMAHQ-UHFFFAOYSA-N
XLogP3.18
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-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-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole (CID 2795811) is 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is CSc1nnc(-c2ccc(C(F)(F)F)nc2C)o1.
What is the InChIKey of 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
The InChIKey is AOFNOJJLNOMAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3OS/c1-5-6(8-15-16-9(17-8)18-2)3-4-7(14-5)10(11,12)13/h3-4H,1-2H3.
What are the key properties of 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole?
2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole has a molecular weight of 275.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazole is sourced from PubChem (CID 2795811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).