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

C7H11N3S — CID 11521153

IUPAC(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2c(s1)C[C@@H](N)CC2
InChIInChI=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
InChIKeyDRRYZHHKWSHHFT-BYPYZUCNSA-N
MW169.25 g/mol
LogP0.54
Rot. Bonds

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

(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (PubChem CID 11521153) has the molecular formula C7H11N3S and a molecular weight of 169.25 g/mol. Its IUPAC name is (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.

Molecular Properties

Compound Name(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
PubChem CID11521153
Molecular FormulaC7H11N3S
Molecular Weight169.25 g/mol
Exact Mass169.07
IUPAC Name(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
SMILESNc1nc2c(s1)C[C@@H](N)CC2
InChIInChI=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
InChIKeyDRRYZHHKWSHHFT-BYPYZUCNSA-N
XLogP0.54
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Pramipexole
CID 119570
Dexpramipexole
CID 59868
Pramipexole Dihydrochloride Anhydrous
CID 119569
Pramipexole Dihydrochloride Monohydrate
CID 166589
2-Amino-4,5,6,7-tetrahydrobenzothiazole
CID 18046
Amthamine
CID 126688
4,5,6,7-Tetrahydro-N6-propyl-2,6-benzothiazolediamine
CID 4885
4,5,6,7-Tetrahydro-1,3-benzothiazol-2-amine hydroiodide
CID 11580040
PRAMIPEXOLE HCl
CID 9964861
N~6~,N~6~-Dipropyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
CID 13670706
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole
CID 10329721
(R)-Pramipexole Dihydrochloride
CID 51052075

Frequently Asked Questions

What is the IUPAC name of (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The IUPAC name of (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine (CID 11521153) is (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine.
What is the SMILES notation for (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The canonical SMILES for (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is Nc1nc2c(s1)C[C@@H](N)CC2.
What is the InChIKey of (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
The InChIKey is DRRYZHHKWSHHFT-BYPYZUCNSA-N. The full InChI is 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.
What are the key properties of (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine?
(6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine has a molecular weight of 169.25 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine is sourced from PubChem (CID 11521153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).