chempirical

Dexpramipexole

C10H17N3SCAS 104632-28-2211.33 g/mol

Open in Covalent MOL file
HNNHNHS
Secondary amine

Properties

Molecular formula
C10H17N3S
Molar mass
211.33 g/mol
Exact mass
211.1143 Da
logP
1.41Crippen estimate
Polar surface area
51.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
3
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
104632-28-2
SMILES
CCCN[C@@H]1CCc2[nH]c(=N)sc2C1
InChIKey
FASDKYOPVNHBLU-SSDOTTSWSA-N
InChI
InChI=1S/C10H17N3S/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h7,12H,2-6H2,1H3,(H2,11,13)/t7-/m1/s1

Weigh it out

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

Names and synonyms

9 names
  • 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (6R)-
  • 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-N6-propyl-, (R)-
  • (6R)-4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
  • R-(+)-Pramipexole
  • (R)-Pramipexole
  • (R)-4,5,6,7-Tetrahydro-6-(propylamino)-benzothiazole-2-amine
  • (R)-2-Amino-6-propylamino-4,5,6,7-tetrahydrobenzothiazole
  • (6R)-N6-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
  • (6R)-6-N-Propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Work with Dexpramipexole

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Pramipexole104632-26-0Enantiomer Pramipexole dihydrochloride104632-25-9Salt, enantiomer Pramipexole dihydrochloride monohydrate191217-81-9Salt, enantiomer

Similar compounds

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-451 % similar (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-551 % similar Pramipexole propionamide106006-84-246 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-145 % similar Domin36085-73-131 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-031 % similar R-(-)-BPAP260550-89-830 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia