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

• ChemBase ID: 252069
• Molecular Formular: C9H13N3S
• Molecular Mass: 195.28462
• Monoisotopic Mass: 195.08301843
• SMILES: c12n(c(c(n1)C)CNC)cc(s2)C
• Canonical SMILES: CNCc1c(C)nc2n1cc(s2)C
• InChI: InChI=1S/C9H13N3S/c1-6-5-12-8(4-10-3)7(2)11-9(12)13-6/h5,10H,4H2,1-3H3
• InChIKey: KDICPAWTSPTPGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD08444209
• PubChem SID: 164307979
• PubChem CID: 16227087

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

• Hydrophobicity(logP): 1.483

Product Information

• Purity: 95%