N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide

C8H10F3N5O2S2 — CID 110401910

IUPACN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C8H10F3N5O2S2/c1-2-20(17,18)12-4-3-5-15-16-6(8(9,10)11)13-14-7(16)19-5/h12H,2-4H2,1H3
InChIKeyVGUVUXCFGADLFQ-UHFFFAOYSA-N
MW329.33 g/mol
LogP0.69
Rot. Bonds5

About N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide

N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide (PubChem CID 110401910) has the molecular formula C8H10F3N5O2S2 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide
PubChem CID110401910
Molecular FormulaC8H10F3N5O2S2
Molecular Weight329.33 g/mol
Exact Mass329.02
IUPAC NameN-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1nn2c(C(F)(F)F)nnc2s1
InChIInChI=1S/C8H10F3N5O2S2/c1-2-20(17,18)12-4-3-5-15-16-6(8(9,10)11)13-14-7(16)19-5/h12H,2-4H2,1H3
InChIKeyVGUVUXCFGADLFQ-UHFFFAOYSA-N
XLogP0.69
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]ethanesulfonamide
CID 110402002
4-fluoro-N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]benzenesulfonamide
CID 110401915
1,1-dimethyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]urea
CID 110401897
N-propan-2-yl-3-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]propan-1-amine
CID 114352901
1-phenyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]methanesulfonamide
CID 110402020
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]morpholine-4-carboxamide
CID 110401899
N-[2-(3-tert-butyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-2-methylpropan-2-amine
CID 114353365
1-(4-fluorophenyl)-N-[2-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]methanesulfonamide
CID 110400999
2,4-dimethyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide
CID 110402011
4-fluoro-3-methyl-N-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]benzenesulfonamide
CID 110402014
2-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methyl]butan-1-amine
CID 114352887
4-methyl-3-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]pentan-1-amine
CID 114352814

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide (CID 110401910) is N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1nn2c(C(F)(F)F)nnc2s1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide?
The InChIKey is VGUVUXCFGADLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5O2S2/c1-2-20(17,18)12-4-3-5-15-16-6(8(9,10)11)13-14-7(16)19-5/h12H,2-4H2,1H3.
What are the key properties of N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide?
N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide has a molecular weight of 329.33 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethyl]ethanesulfonamide is sourced from PubChem (CID 110401910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).