{2-[({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)[(2-methylphenyl)methyl]amino]ethyl}dimethylamine

• ChemBase ID: 752678
• Molecular Formular: C18H23ClN4S
• Molecular Mass: 362.92002
• Monoisotopic Mass: 362.13319544
• SMILES: n1c2n(c(c1Cl)CN(Cc1c(C)cccc1)CCN(C)C)ccs2
• Canonical SMILES: CN(CCN(Cc1c(Cl)nc2n1ccs2)Cc1ccccc1C)C
• InChI: InChI=1S/C18H23ClN4S/c1-14-6-4-5-7-15(14)12-22(9-8-21(2)3)13-16-17(19)20-18-23(16)10-11-24-18/h4-7,10-11H,8-9,12-13H2,1-3H3
• InChIKey: QVPGFHFSCGYYAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)[(2-methylphenyl)methyl]amino]ethyl}dimethylamine
• IUPAC Traditional name: {2-[({6-chloroimidazo[2,1-b][1,3]thiazol-5-yl}methyl)[(2-methylphenyl)methyl]amino]ethyl}dimethylamine
• Synonyms: N-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-N',N'-dimethyl-N-(2-methylbenzyl)ethane-1,2-diamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.47900096
• LogD (pH = 7.4): 2.020822
• Log P: 3.7354095
• Molar Refractivity: 115.4716 cm^3
• Polarizability: 39.373344 Å^3
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.15
• LOG S: -4.38
• Polar Surface Area: 23.78 Å^2
• Rotatable Bonds: 7