methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine dihydrochloride

• ChemBase ID: 268518
• Molecular Formular: C8H13Cl2N3S
• Molecular Mass: 254.17992
• Monoisotopic Mass: 253.02072379
• SMILES: c12n(c(c(n1)C)CNC)ccs2.Cl.Cl
• Canonical SMILES: CNCc1c(C)nc2n1ccs2.Cl.Cl
• InChI: InChI=1S/C8H11N3S.2ClH/c1-6-7(5-9-2)11-3-4-12-8(11)10-6;;/h3-4,9H,5H2,1-2H3;2*1H
• InChIKey: NSUOGXODVZIXJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine dihydrochloride
• IUPAC Traditional name: methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine dihydrochloride
• Synonyms: methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl)amine dihydrochloride

Database IDs

• MDL Number: MFCD17167123
• PubChem SID: 164324428
• PubChem CID: 50988377

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.847154
• LogD (pH = 7.4): -1.1401883
• Log P: 0.3044
• Molar Refractivity: 61.2294 cm^3
• Polarizability: 18.94806 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.984

Product Information

• Purity: 95%