N-[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propanamide

C₁₀H₁₅N₃OSCAS 106006-84-2225.31 g/mol

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Properties

Molecular formula: C₁₀H₁₅N₃OS
Molar mass: 225.31 g/mol
Exact mass: 225.0936 Da
logP: 1.78Crippen estimate
Polar surface area: 72.2 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

106006-84-2

SMILES

CCC(O)=N[C@H]1CCc2[nH]c(=N)sc2C1

InChIKey

VVPFOYOFGUBZRY-LURJTMIESA-N

InChI

InChI=1S/C10H15N3OS/c1-2-9(14)12-6-3-4-7-8(5-6)15-10(11)13-7/h6H,2-5H2,1H3,(H2,11,13)(H,12,14)/t6-/m0/s1

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Names and synonyms

3 names

Propanamide, N-[(6S)-2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl]-
Propanamide, N-(2-amino-4,5,6,7-tetrahydro-6-benzothiazolyl)-, (S)-
(S)-N-(2-Amino-4,5,6,7-tetrahydrobenzo[d]thiazol-6-yl)propionamide

Work with N-[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propanamide

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

Similar compounds

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-447 % similar (6S)-4,5,6,7-Tetrahydro-2,6-benzothiazolediamine106092-09-547 % similar Pramipexole104632-26-046 % similar Dexpramipexole104632-28-246 % similar Pramipexole dihydrochloride104632-25-944 % similar Pramipexole dihydrochloride monohydrate191217-81-941 % similar 4,5,6,7-Tetrahydro-2-benzothiazolamine2933-29-138 % similar 1,1-Dimethylethyl 2-amino-6,7-dihydrothiazolo[5,4-C]pyridine-5(4H)-carboxylate365996-05-031 % similar

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

Same formula

2-Amino-6-(propylamino)-5,6-dihydrobenzo[D]thiazol-7(4H)-one1286047-33-3

Elsewhere

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