chempirical

Riluzole

C8H5F3N2OSCAS 1744-22-5234.20 g/mol

Open in Covalent MOL file
HNHNOFFFS
Alkyl halideEther

Properties

Molecular formula
C8H5F3N2OS
Molar mass
234.20 g/mol
Exact mass
234.0075 Da
Melting point
117–119 °C
logP
2.61Crippen estimate
Polar surface area
48.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
1744-22-5
SMILES
N=c1[nH]c2ccc(OC(F)(F)F)cc2s1
InChIKey
FTALBRSUTCGOEG-UHFFFAOYSA-N
InChI
InChI=1S/C8H5F3N2OS/c9-8(10,11)14-4-1-2-5-6(3-4)15-7(12)13-5/h1-3H,(H2,12,13)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • 2-Benzothiazolamine, 6-(trifluoromethoxy)-
  • Benzothiazole, 2-amino-6-(trifluoromethoxy)-
  • 6-(Trifluoromethoxy)-2-benzothiazolamine
  • 2-Amino-6-(trifluoromethoxy)benzothiazole
  • PK 26124
  • RP 54274
  • 6-(Trifluoromethoxy)-2-aminobenzothiazole
  • Rilutek
  • 6-(Trifluoromethoxy)-1,3-benzothiazol-2-ylamine
  • 6-Trifluoromethoxybenzothiazol-2-ylamine
  • 6-(Trifluoromethoxy)-1,3-benzothiazol-2-amine
  • 6-Trifluoromethoxybenzo[d]thiazol-2-amine
  • Rilutor
  • BHV 0233

Work with Riluzole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Amino-6-methoxybenzothiazole1747-60-061 % similar 2-Amino-6-ethoxybenzothiazole94-45-156 % similar 2-Amino-6-fluorobenzothiazole348-40-353 % similar 2-Amino-6-bromobenzothiazole15864-32-149 % similar 2-Amino-6-benzothiazolol26278-79-549 % similar 2-Amino-6-chlorobenzothiazole95-24-949 % similar 5-Methoxy-2-benzothiazolamine54346-87-145 % similar 2-Aminobenzothiazole136-95-843 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook