3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C16H9F3N4OS — CID 4234519

IUPAC3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1cccc(C=Cc2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)11-4-1-3-10(9-11)6-7-13-22-23-14(12-5-2-8-24-12)20-21-15(23)25-13/h1-9H
InChIKeyLXPKZHGGXAYMGZ-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.64
Rot. Bonds3

About 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 4234519) has the molecular formula C16H9F3N4OS and a molecular weight of 362.34 g/mol. Its IUPAC name is 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID4234519
Molecular FormulaC16H9F3N4OS
Molecular Weight362.34 g/mol
Exact Mass362.04
IUPAC Name3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESFC(F)(F)c1cccc(C=Cc2nn3c(-c4ccco4)nnc3s2)c1
InChIInChI=1S/C16H9F3N4OS/c17-16(18,19)11-4-1-3-10(9-11)6-7-13-22-23-14(12-5-2-8-24-12)20-21-15(23)25-13/h1-9H
InChIKeyLXPKZHGGXAYMGZ-UHFFFAOYSA-N
XLogP4.64
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole 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 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 4234519) is 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is FC(F)(F)c1cccc(C=Cc2nn3c(-c4ccco4)nnc3s2)c1.
What is the InChIKey of 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is LXPKZHGGXAYMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N4OS/c17-16(18,19)11-4-1-3-10(9-11)6-7-13-22-23-14(12-5-2-8-24-12)20-21-15(23)25-13/h1-9H.
What are the key properties of 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 362.34 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 4234519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).