benzyl({imidazo[1,2-a]pyrimidin-6-ylmethyl})(1,3-thiazol-2-ylmethyl)amine

• ChemBase ID: 459582
• Molecular Formular: C18H17N5S
• Molecular Mass: 335.42608
• Monoisotopic Mass: 335.12046657
• SMILES: c12n(cc(cn1)CN(Cc1nccs1)Cc1ccccc1)ccn2
• Canonical SMILES: c1ccc(cc1)CN(Cc1cnc2n(c1)ccn2)Cc1nccs1
• InChI: InChI=1S/C18H17N5S/c1-2-4-15(5-3-1)11-22(14-17-19-7-9-24-17)12-16-10-21-18-20-6-8-23(18)13-16/h1-10,13H,11-12,14H2
• InChIKey: CPSSBYWWGVIKQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl({imidazo[1,2-a]pyrimidin-6-ylmethyl})(1,3-thiazol-2-ylmethyl)amine
• IUPAC Traditional name: benzyl({imidazo[1,2-a]pyrimidin-6-ylmethyl})(1,3-thiazol-2-ylmethyl)amine
• Synonyms: N-benzyl-1-imidazo[1,2-a]pyrimidin-6-yl-N-(1,3-thiazol-2-ylmethyl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.2747269
• LogD (pH = 7.4): 1.910868
• Log P: 1.9295971
• Molar Refractivity: 97.0929 cm^3
• Polarizability: 36.412678 Å^3
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.71
• LOG S: -2.1
• Polar Surface Area: 46.32 Å^2
• Rotatable Bonds: 6