CAS 106092-09-5|(S)-4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine|(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine|(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine|(R)-4,5,6,7-Tetrahydrob...

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-/m0/s1

InChIKey

DRRYZHHKWSHHFT-BYPYZUCNSA-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

Synonyms

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

IUPAC Traditional name

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

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Registration numbers

Properties

Safety Information

Product Information

95+%

Download link

Physical Property

Pale Beige Solid

222-224°C

Methanol,

Dimethyl Sulfoxide

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

TRC

D416840

(S)-N-Despropyl Pramipexole is a (S)-Pramipexole (P700745) intermediate as dopamine autoreceptor agonist.

Molecule Details

References

PubChem Literature

From Data Sources

• Brandt, R., et al.: Biochem. Med. Metab. Biol., 37, 34 (1973)

• Adang, A., et al.: Bioorg. Med. Chem. Lett., 8, 3603 (1973)

• Burgey, C., et al.: J. Med. Chem., 46, 461 (1973)

• Cheng, Y., et al.: Biochem. Pharmacol., 22, 3099 (1973)

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Commercial Catalog

Academic Data

Names and Identifiers

Synonyms

IUPAC Traditional name

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

IUPAC name

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

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID

Molecule Details

D416840

(S)-N-Despropyl Pramipexole is a (S)-Pramipexole (P700745) intermediate as dopamine autoreceptor agonist.

References

PubChem Literature

From Data Sources

• Brandt, R., et al.: Biochem. Med. Metab. Biol., 37, 34 (1973)

• Adang, A., et al.: Bioorg. Med. Chem. Lett., 8, 3603 (1973)

• Burgey, C., et al.: J. Med. Chem., 46, 461 (1973)

• Cheng, Y., et al.: Biochem. Pharmacol., 22, 3099 (1973)

Bioactivity

PubChem BioAssay

Properties

Safety Information

Product Information

95+%

Download link

Physical Property

Pale Beige Solid

222-224°C

Methanol,

Dimethyl Sulfoxide

Molecule

ID:66666