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

• ChemBase ID: 257623
• Molecular Formular: C9H15Cl2N3S
• Molecular Mass: 268.2065
• Monoisotopic Mass: 267.03637386
• SMILES: c12n(c(c(n1)C)CNC)cc(s2)C.Cl.Cl
• Canonical SMILES: CNCc1c(C)nc2n1cc(s2)C.Cl.Cl
• InChI: InChI=1S/C9H13N3S.2ClH/c1-6-5-12-8(4-10-3)7(2)11-9(12)13-6;;/h5,10H,4H2,1-3H3;2*1H
• InChIKey: PSWOYKDTLKRQAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11505506
• PubChem SID: 164313533
• PubChem CID: 43810714

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2410512
• LogD (pH = 7.4): -0.53193575
• Log P: 0.9248
• Molar Refractivity: 66.2857 cm^3
• Polarizability: 20.703968 Å^3
• Polar Surface Area: 29.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 215 - 217°C
• Hydrophobicity(logP): 1.283

Product Information

• Purity: 95%