2-[3-(1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1H-pyrazol-3-yl)phenyl]-1,3-thiazole

• ChemBase ID: 492951
• Molecular Formular: C19H19N5OS
• Molecular Mass: 365.45206
• Monoisotopic Mass: 365.13103125
• SMILES: n1n(Cc2n(cnc2)CCOC)ccc1c1cc(c2nccs2)ccc1
• Canonical SMILES: COCCn1cncc1Cn1ccc(n1)c1cccc(c1)c1nccs1
• InChI: InChI=1S/C19H19N5OS/c1-25-9-8-23-14-20-12-17(23)13-24-7-5-18(22-24)15-3-2-4-16(11-15)19-21-6-10-26-19/h2-7,10-12,14H,8-9,13H2,1H3
• InChIKey: CBDHXGABMKCPFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1H-pyrazol-3-yl)phenyl]-1,3-thiazole
• IUPAC Traditional name: 2-[3-(1-{[3-(2-methoxyethyl)imidazol-4-yl]methyl}pyrazol-3-yl)phenyl]-1,3-thiazole
• Synonyms: 2-[3-(1-{[1-(2-methoxyethyl)-1H-imidazol-5-yl]methyl}-1H-pyrazol-3-yl)phenyl]-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2955785
• LogD (pH = 7.4): 2.7606142
• Log P: 2.8204494
• Molar Refractivity: 123.4207 cm^3
• Polarizability: 40.4377 Å^3
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -3.74
• Polar Surface Area: 57.76 Å^2
• Rotatable Bonds: 7