1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole

C16H10F5N3S — CID 22592492

IUPAC1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F5N3S/c1-25-13-7-6-11(8-12(13)18)24-14(9-2-4-10(17)5-3-9)22-15(23-24)16(19,20)21/h2-8H,1H3
InChIKeyKPOWFJKUJWBHOJ-UHFFFAOYSA-N
MW371.33 g/mol
LogP4.95
Rot. Bonds3

About 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole

1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole (PubChem CID 22592492) has the molecular formula C16H10F5N3S and a molecular weight of 371.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
PubChem CID22592492
Molecular FormulaC16H10F5N3S
Molecular Weight371.33 g/mol
Exact Mass371.05
IUPAC Name1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole
SMILESCSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1F
InChIInChI=1S/C16H10F5N3S/c1-25-13-7-6-11(8-12(13)18)24-14(9-2-4-10(17)5-3-9)22-15(23-24)16(19,20)21/h2-8H,1H3
InChIKeyKPOWFJKUJWBHOJ-UHFFFAOYSA-N
XLogP4.95
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-Fluorophenyl)-3-methyl-5-phenyl-4H-1,2,4-triazole
CID 50993662
1,5-Diphenyl-3-trifluoromethyl-1h-1,2,4-triazole
CID 14027596
3-Ethylsulfanyl-4,5-diphenyl-1,2,4-triazole
CID 893283
(4,5-Diphenyl(1,2,4-triazol-3-ylthio))difluoromethane
CID 975037
3-[(1,5-Diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 2738640
4-[[5-(2-Fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]butanenitrile
CID 4803996
3-Heptyl-1,5-diphenyl-1,2,4-triazole
CID 10149745
1-(4-Methylsulfonylphenyl)-5-[4-(trifluoromethyl)phenyl]tetrazole
CID 57393945
5-(4-Fluorophenyl)-1-(4-methylsulfonylphenyl)tetrazole
CID 57400903
1,5-Diphenyl-3-methylthio-1,2,4-triazole
CID 622451
1H-1,2,4-Triazole, 5-(methylthio)-1,3-diphenyl-
CID 622452
3-(3-Fluoro-benzylsulfanyl)-5-(3-fluoro-phenyl)-4-phenyl-4H-[1,2,4]triazole
CID 555499

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The IUPAC name of 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole (CID 22592492) is 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole.
What is the SMILES notation for 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The canonical SMILES for 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole is CSc1ccc(-n2nc(C(F)(F)F)nc2-c2ccc(F)cc2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
The InChIKey is KPOWFJKUJWBHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F5N3S/c1-25-13-7-6-11(8-12(13)18)24-14(9-2-4-10(17)5-3-9)22-15(23-24)16(19,20)21/h2-8H,1H3.
What are the key properties of 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole?
1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole has a molecular weight of 371.33 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylsulfanylphenyl)-5-(4-fluorophenyl)-3-(trifluoromethyl)-1,2,4-triazole is sourced from PubChem (CID 22592492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).