(2-methoxyethyl)[(3-methylthiophen-2-yl)methyl](1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 635497
• Molecular Formular: C13H18N2OS2
• Molecular Mass: 282.42482
• Monoisotopic Mass: 282.08605521
• SMILES: c1(c(ccs1)C)CN(Cc1nccs1)CCOC
• Canonical SMILES: COCCN(Cc1sccc1C)Cc1nccs1
• InChI: InChI=1S/C13H18N2OS2/c1-11-3-7-17-12(11)9-15(5-6-16-2)10-13-14-4-8-18-13/h3-4,7-8H,5-6,9-10H2,1-2H3
• InChIKey: IMAIKHPQPOJZAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)[(3-methylthiophen-2-yl)methyl](1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: (2-methoxyethyl)[(3-methylthiophen-2-yl)methyl](1,3-thiazol-2-ylmethyl)amine
• Synonyms: (2-methoxyethyl)[(3-methyl-2-thienyl)methyl](1,3-thiazol-2-ylmethyl)amine

CALCULATED PROPERTIES

JChem

• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3254524
• LogD (pH = 7.4): 2.6282058
• Log P: 2.7504022
• Molar Refractivity: 76.7233 cm^3
• Polarizability: 29.54398 Å^3

供应商提供(Chembridge)

• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 7
• H Acceptors: 3
• H Donor: 0
• Log P: 2.24
• LOG S: -2.16