methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl][(2,3,4-trifluorophenyl)methyl]amine

• ChemBase ID: 325024
• Molecular Formular: C14H15F3N2S
• Molecular Mass: 300.3425096
• Monoisotopic Mass: 300.09080415
• SMILES: c1(c(c(CN(CCc2c(ncs2)C)C)ccc1F)F)F
• Canonical SMILES: CN(Cc1ccc(c(c1F)F)F)CCc1scnc1C
• InChI: InChI=1S/C14H15F3N2S/c1-9-12(20-8-18-9)5-6-19(2)7-10-3-4-11(15)14(17)13(10)16/h3-4,8H,5-7H2,1-2H3
• InChIKey: REMWEGHMOSBCCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl][(2,3,4-trifluorophenyl)methyl]amine
• IUPAC Traditional name: methyl[2-(4-methyl-1,3-thiazol-5-yl)ethyl][(2,3,4-trifluorophenyl)methyl]amine
• Synonyms: N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-(2,3,4-trifluorobenzyl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2145851
• LogD (pH = 7.4): 2.8805447
• Log P: 3.278485
• Molar Refractivity: 74.3119 cm^3
• Polarizability: 27.39857 Å^3
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.78
• LOG S: -2.76
• Polar Surface Area: 16.13 Å^2
• Rotatable Bonds: 5