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

C₁₀H₁₅N₃OSCAS 1286047-33-3225.31 g/mol

Open in Covalent MOL file

Ketone Primary amine Secondary amine

Properties

Molecular formula: C₁₀H₁₅N₃OS
Molar mass: 225.31 g/mol
Exact mass: 225.0936 Da
logP: 1.22Crippen estimate
Polar surface area: 68.0 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 3

Identifiers

CAS number

1286047-33-3

SMILES

CCCNC1CCC2=C(C1=O)SC(=N2)N

InChIKey

ZOCPEKBIHMIJSC-UHFFFAOYSA-N

InChI

InChI=1S/C10H15N3OS/c1-2-5-12-6-3-4-7-9(8(6)14)15-10(11)13-7/h6,12H,2-5H2,1H3,(H2,11,13)

Weigh it out

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

Work with 2-Amino-6-(propylamino)-5,6-dihydrobenzo[D]thiazol-7(4H)-one

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

(6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine106092-11-933 % similar

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

Same formula

N-[(6S)-2-Amino-4,5,6,7-tetrahydro-6-benzothiazolyl]propanamide106006-84-2

Elsewhere

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