1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride

• ChemBase ID: 121124
• Molecular Formular: C9H19Cl2N3S
• Molecular Mass: 272.23826
• Monoisotopic Mass: 271.06767398
• SMILES: C1(=NCC(S1)(C)C)N1CCNCC1.Cl.Cl
• Canonical SMILES: CC1(C)CN=C(S1)N1CCNCC1.Cl.Cl
• InChI: InChI=1S/C9H17N3S.2ClH/c1-9(2)7-11-8(13-9)12-5-3-10-4-6-12;;/h10H,3-7H2,1-2H3;2*1H
• InChIKey: GPUMYQLZQBELHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride
• IUPAC Traditional name: 1-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazine dihydrochloride
• Synonyms: 5,5-dimethyl-2-(piperazin-1-yl)-4,5-dihydrothiazole dihydrochloride; 1-(5,5-dimethyl-4,5-dihydro-1,3-thiazol-2-yl)piperazine dihydrochloride

Database IDs

• MDL Number: MFCD19982374
• PubChem SID: 162215477
• PubChem CID: 54594636

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.8137362
• LogD (pH = 7.4): -0.59991145
• Log P: 0.8550865
• Molar Refractivity: 57.5214 cm^3
• Polarizability: 22.326101 Å^3
• Polar Surface Area: 27.63 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.644

Product Information

• Purity: 95%
• Salt Data: 2 HCl