chempirical

(S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

C7H11N3SCAS 106092-09-5169.25 g/mol

Open in Covalent MOL file
HNHNSNH2
Primary amine

Properties

Molecular formula
C7H11N3S
Molar mass
169.25 g/mol
Exact mass
169.0674 Da
logP
0.37Crippen estimate
Polar surface area
65.7 Ų
H-bond donors / acceptors
3 / 3
Rotatable bonds
0
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
106092-09-5
SMILES
N=c1[nH]c2c(s1)C[C@@H](N)CC2
InChIKey
DRRYZHHKWSHHFT-BYPYZUCNSA-N
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

Weigh it out

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

Names and synonyms

9 names
  • 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole, (S)-
  • (6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine
  • 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-, (6S)-
  • 2,6-Benzothiazolediamine, 4,5,6,7-tetrahydro-, (S)-
  • (S)-4,5,6,7-Tetrahydrobenzothiazole-2,6-diamine
  • (S)-4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine
  • (S)-4,5,6,7-Tetrahydrobenzo[1,2-d]thiazole-2,6-diamine
  • (6S)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine
  • (S)-4,5,6,7-Tetrahydrobenzo[d]thiazol-2,6-diamine

Work with (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

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.

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-4Stereo not defined (6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine106092-11-9

Similar compounds

Pramipexole104632-26-051 % similar Dexpramipexole104632-28-251 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-150 % similar Pramipexole dihydrochloride104632-25-948 % similar Pramipexole propionamide106006-84-247 % similar Pramipexole dihydrochloride monohydrate191217-81-945 % similar Domin36085-73-135 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-c]pyridine-5(4H)-carboxylate365996-05-032 % similar

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

Same formula

1-Ethyl-3-methylimidazolium thiocyanate331717-63-6 1-(2-Thiazolyl)piperazine42270-37-1

Elsewhere

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