methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl){[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine

• ChemBase ID: 652058
• Molecular Formular: C16H16N6OS
• Molecular Mass: 340.40284
• Monoisotopic Mass: 340.11063016
• SMILES: c12n(c(c(n1)C)CN(Cc1nc(no1)c1ncccc1)C)ccs2
• Canonical SMILES: CN(Cc1c(C)nc2n1ccs2)Cc1onc(n1)c1ccccn1
• InChI: InChI=1S/C16H16N6OS/c1-11-13(22-7-8-24-16(22)18-11)9-21(2)10-14-19-15(20-23-14)12-5-3-4-6-17-12/h3-8H,9-10H2,1-2H3
• InChIKey: MKCHLOXHJRIHKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl){[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• IUPAC Traditional name: methyl({6-methylimidazo[2,1-b][1,3]thiazol-5-yl}methyl){[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]methyl}amine
• Synonyms: N-methyl-1-(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)-N-{[3-(2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.3346684
• LogD (pH = 7.4): 2.0839944
• Log P: 2.110176
• Molar Refractivity: 113.962 cm^3
• Polarizability: 34.90076 Å^3
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.38
• LOG S: -3.56
• Polar Surface Area: 72.35 Å^2
• Rotatable Bonds: 5