2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

C15H10F3N3O2S2 — CID 2795782

IUPAC2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1nc(C(F)(F)F)ccc1-c1nnc(SCC(=O)c2cccs2)o1
InChIInChI=1S/C15H10F3N3O2S2/c1-8-9(4-5-12(19-8)15(16,17)18)13-20-21-14(23-13)25-7-10(22)11-3-2-6-24-11/h2-6H,7H2,1H3
InChIKeyZVGALXCDIDRLAK-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.50
Rot. Bonds5

About 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone

2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (PubChem CID 2795782) has the molecular formula C15H10F3N3O2S2 and a molecular weight of 385.39 g/mol. Its IUPAC name is 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
PubChem CID2795782
Molecular FormulaC15H10F3N3O2S2
Molecular Weight385.39 g/mol
Exact Mass385.02
IUPAC Name2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone
SMILESCc1nc(C(F)(F)F)ccc1-c1nnc(SCC(=O)c2cccs2)o1
InChIInChI=1S/C15H10F3N3O2S2/c1-8-9(4-5-12(19-8)15(16,17)18)13-20-21-14(23-13)25-7-10(22)11-3-2-6-24-11/h2-6H,7H2,1H3
InChIKeyZVGALXCDIDRLAK-UHFFFAOYSA-N
XLogP4.50
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone 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-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone (CID 2795782) is 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is Cc1nc(C(F)(F)F)ccc1-c1nnc(SCC(=O)c2cccs2)o1.
What is the InChIKey of 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
The InChIKey is ZVGALXCDIDRLAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3O2S2/c1-8-9(4-5-12(19-8)15(16,17)18)13-20-21-14(23-13)25-7-10(22)11-3-2-6-24-11/h2-6H,7H2,1H3.
What are the key properties of 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone?
2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone has a molecular weight of 385.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 2795782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).