2-Piperazin-1-yl-1,3-benzothiazole

C₁₁H₁₃N₃SCAS 55745-83-0219.31 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₁H₁₃N₃S
Molar mass: 219.31 g/mol
Exact mass: 219.0830 Da
logP: 1.71Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

55745-83-0

SMILES

C1CN(CCN1)C2=NC3=CC=CC=C3S2

InChIKey

LLQMZXMBCQNMJV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

2-Piperazin-1-yl-benzothiazole

Work with 2-Piperazin-1-yl-1,3-benzothiazole

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

2-(Chloromethyl)benzothiazole37859-43-149 % similar Quipazine4774-24-748 % similar 2,2′-Methylenebis[benzothiazole]1945-78-444 % similar 2-Bromobenzothiazole2516-40-744 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole hydrochloride144010-02-643 % similar 3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride87691-88-143 % similar Phenylpiperazine92-54-643 % similar 2-Hydrazinylbenzothiazole615-21-442 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook