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Common name


Riluzole

IUPAC name


6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

SMILES


NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2

Compound class


Anticonvulsants; Neuroprotective Agents; Excitatory Amino Acid Antagonists; Nervous System; Cytochrome P-450 CYP1A2 Inhibitors; Cytochrome P-450 CYP1A2 Inducers;

Therapeutic area


For the treatment of amyotrophic lateral sclerosis (ALS, Lou Gehrig's Disease).

Common name


Riluzole

IUPAC name


6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

SMILES


NC1=NC2=C(S1)C=C(OC(F)(F)F)C=C2

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)

FORMULA


C8H5F3N2OS

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Common name


Riluzole

IUPAC name


6-(trifluoromethoxy)-1,3-benzothiazol-2-amine

Molecular weight


234.198

clogP


2.926

clogS


-2.791

HBond Acceptor


2

HBond Donor


2

Total Polar
Surface Area


76.38

Number of Rings


2

Rotatable Bond


2

Drug ID Common name Structure CAS SMILE Frequency
FDBF00177 fluoroform Responsive image FC(F)F 0.0704
FDBF01719 trifluoromethanol Responsive image OC(F)(F)F 0.0034
2 , 1