3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride

C₁₁H₁₄ClN₃SCAS 87691-88-1255.76 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₄ClN₃S
Molar mass: 255.76 g/mol
Exact mass: 255.0597 Da
logP: 2.13Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Identifiers

CAS number

87691-88-1

SMILES

Cl.c1ccc2c(N3CCNCC3)nsc2c1

InChIKey

DOQLJTKEUIJSKK-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3S.ClH/c1-2-4-10-9(3-1)11(13-15-10)14-7-5-12-6-8-14;/h1-4,12H,5-8H2;1H

Weigh it out

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

Names and synonyms

5 names

1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride (1:1)
1,2-Benzisothiazole, 3-(1-piperazinyl)-, monohydrochloride
4-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride
3-Piperazinyl-1,2-benzisothiazole hydrochloride
3-(1-Piperazinyl)-1,2-benzisothiazole monohydrochloride

Work with 3-Piperazin-1-yl-benzo[D]isothiazole hydrochloride

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

3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-091 % similar Sm 9018129273-38-749 % similar 1-Phenylpiperazine hydrochloride2210-93-747 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-245 % similar Lurasidone hydrochloride367514-88-344 % similar Ziprasidone hydrochloride122883-93-644 % similar N-(2-Chlorophenyl)piperazine monohydrochloride41202-32-842 % similar Ziprasidone monohydrochloride monohydrate138982-67-942 % similar

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

Same formula

3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-6

Elsewhere

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