N-[(6-methylpyridin-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

• ChemBase ID: 854353
• Molecular Formular: C14H17N3S
• Molecular Mass: 259.36988
• Monoisotopic Mass: 259.11431856
• SMILES: N(C1CC1)(Cc1nccs1)Cc1nc(ccc1)C
• Canonical SMILES: Cc1cccc(n1)CN(C1CC1)Cc1nccs1
• InChI: InChI=1S/C14H17N3S/c1-11-3-2-4-12(16-11)9-17(13-5-6-13)10-14-15-7-8-18-14/h2-4,7-8,13H,5-6,9-10H2,1H3
• InChIKey: LMLGPLNBZDENRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(6-methylpyridin-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• IUPAC Traditional name: N-[(6-methylpyridin-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine
• Synonyms: N-[(6-methylpyridin-2-yl)methyl]-N-(1,3-thiazol-2-ylmethyl)cyclopropanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.4676399
• LogD (pH = 7.4): 1.8247377
• Log P: 1.831809
• Molar Refractivity: 72.8723 cm^3
• Polarizability: 28.563137 Å^3
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.51
• LOG S: -0.93
• Polar Surface Area: 29.02 Å^2
• Rotatable Bonds: 5