{[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl){[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}amine

• ChemBase ID: 631168
• Molecular Formular: C16H18N4OS2
• Molecular Mass: 346.47032
• Monoisotopic Mass: 346.09220322
• SMILES: n1c(scc1CN(Cc1cnc(nc1)COC)C)c1sccc1
• Canonical SMILES: COCc1ncc(cn1)CN(Cc1csc(n1)c1cccs1)C
• InChI: InChI=1S/C16H18N4OS2/c1-20(8-12-6-17-15(10-21-2)18-7-12)9-13-11-23-16(19-13)14-4-3-5-22-14/h3-7,11H,8-10H2,1-2H3
• InChIKey: SLPWRHRAQIQTCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl){[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}amine
• IUPAC Traditional name: {[2-(methoxymethyl)pyrimidin-5-yl]methyl}(methyl){[2-(thiophen-2-yl)-1,3-thiazol-4-yl]methyl}amine
• Synonyms: 1-[2-(methoxymethyl)-5-pyrimidinyl]-N-methyl-N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.755551
• LogD (pH = 7.4): 2.3980289
• Log P: 2.4172344
• Molar Refractivity: 103.6331 cm^3
• Polarizability: 36.285088 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.05
• LOG S: -2.47
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 7