Molecule ID: 119570

IUPAC Name: (6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Description: The molecule is a member of the class of benzothiazoles that is 4,5,6,7-tetrahydro-1,3-benzothiazole in which the hydrogens at the 2 and 6-pro-S-positions are substituted by amino and propylamino groups, respectively. It has a role as an antiparkinson drug, a dopamine agonist, an antidyskinesia agent and a radical scavenger. It is a member of benzothiazoles and a diamine. It is a conjugate base of a pramipexole(2+).

SMILES: CCCN[C@H]1CCc2[nH]c(=N)sc2C1

SELFIES: [C][C][C][N][C@H1][C][C][C][NH1][C][=Branch1][C][=N][S][C][=Ring1][=Branch1][C][Ring1][#Branch2]

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-/m0/s1

Molecular Properties:
- Polar Surface Area: 79.2 Ų
- LogP: 1.9