1-(2-Thiazolyl)piperazine

C₇H₁₁N₃SCAS 42270-37-1169.25 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₇H₁₁N₃S
Molar mass: 169.25 g/mol
Exact mass: 169.0674 Da
Boiling point: 120–125 °C (at 2 Torr)
logP: 0.55Crippen estimate
Polar surface area: 28.2 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin33.3% of notifiers
H315 Causes skin irritation33.3% of notifiers
H318 Causes serious eye damage33.3% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

42270-37-1

SMILES

c1csc(N2CCNCC2)n1

InChIKey

WQFWIVTXNKRNJZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H11N3S/c1-4-10(5-2-8-1)7-9-3-6-11-7/h3,6,8H,1-2,4-5H2

Weigh it out

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

Names and synonyms

5 names

Piperazine, 1-(2-thiazolyl)-
4-(1,3-Thiazol-2-yl)piperazine
2-(Piperazin-1-yl)thiazole
2-Piperazin-1-yl-1,3-thiazole
1-(Thiazol-2-yl)piperazine

Work with 1-(2-Thiazolyl)piperazine

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

Pyrimidinylpiperazine20980-22-747 % similar Pyridinylpiperazine34803-66-243 % similar 1-Piperazinylpyrazine34803-68-443 % similar 2-(1-Piperazinyl)pyrimidine dihydrochloride94021-22-443 % similar 1-(4-Pyridyl)piperazine1008-91-942 % similar 2-Piperazin-1-yl-1,3-benzothiazole55745-83-041 % similar 1-(2-Pyridyl)piperazine monohydrochloride129394-11-239 % similar 1-(4-Methyl-2-pyridinyl)piperazine34803-67-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,5,6,7-Tetrahydro-2,6-benzothiazolediamine104617-49-4 (S)-2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole106092-09-5 (6R)-4,5,6,7-Tetrahydro-1,3-benzothiazole-2,6-diamine106092-11-9 1-Ethyl-3-methylimidazolium thiocyanate331717-63-6

Elsewhere

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