CAS 106092-11-9|(6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine|(6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine|(R)-4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine|(6R)-4,5,6,7-Tetrahydro...

General Information

Structure

Molecular Formula

C₇H₁₁N₃S

Molecular Mass

169.24734

Exact Mass

169.06736837

Charge

InChI

InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)/t4-/m1/s1

InChIKey

DRRYZHHKWSHHFT-SCSAIBSYSA-N

Canonic Smiles

N[C@@H]1CCc2c(C1)sc(n2)N

Isomeric Smiles

s1c(nc2c1C[C@@H](CC2)N)N

Calculated Properties

JChem

Acid pKa

17.662903

H Acceptors

H Donor

LogD (pH = 5.5)

-2.6935387

LogD (pH = 7.4)

-1.9142622

Log P

0.45237193

Molar Refractivity

45.72

Polarizability

17.254498

Polar Surface Area

64.93

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

(6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

IUPAC name

(6R)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

Synonyms

(R)-4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine(6R)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine(R)-N-Despropyl Pramipexole(R)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole(R)-4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine(R)-4,5,6,7-Tetrahydro-benzothiazole-2,6-diamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties