1-(1,3-thiazol-2-yl)piperazine hydrochloride

• ChemBase ID: 288378
• Molecular Formular: C7H12ClN3S
• Molecular Mass: 205.70828
• Monoisotopic Mass: 205.04404608
• SMILES: Cl.c1(N2CCNCC2)nccs1
• Canonical SMILES: N1CCN(CC1)c1nccs1.Cl
• InChI: InChI=1S/C7H11N3S.ClH/c1-4-10(5-2-8-1)7-9-3-6-11-7;/h3,6,8H,1-2,4-5H2;1H
• InChIKey: BIHQYKGSYPXHRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1,3-thiazol-2-yl)piperazine hydrochloride
• IUPAC Traditional name: piperazine, 1-(2-thiazolyl)- hydrochloride
• Synonyms: 2-(Piperazin-1-yl)thiazole hydrochloride; (Piperazin-1-yl)thiazole hydrochloride; 1-(2-Thiazolyl)piperazine hydrochloride; 1-(2-噻唑基)哌嗪盐酸盐

Database IDs

• CAS Number: 209733-13-1
• MDL Number: MFCD08752687
• PubChem SID: 180673909
• PubChem CID: 23467106

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.0226526
• LogD (pH = 7.4): -0.4106452
• Log P: 0.88840413
• Molar Refractivity: 45.9237 cm^3
• Polarizability: 17.413645 Å^3
• Polar Surface Area: 28.16 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%; 97+%