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

• ChemBase ID: 498479
• Molecular Formular: C14H20N4OS
• Molecular Mass: 292.3998
• Monoisotopic Mass: 292.13578228
• SMILES: c1(n(ccn1)CCOC)CN1C(c2nccs2)CCC1
• Canonical SMILES: COCCn1ccnc1CN1CCCC1c1nccs1
• InChI: InChI=1S/C14H20N4OS/c1-19-9-8-17-7-4-15-13(17)11-18-6-2-3-12(18)14-16-5-10-20-14/h4-5,7,10,12H,2-3,6,8-9,11H2,1H3
• InChIKey: SMGDJNLLAUHQLG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4000097
• LogD (pH = 7.4): 1.0944158
• Log P: 1.1202257
• Molar Refractivity: 79.257 cm^3
• Polarizability: 30.667582 Å^3
• Polar Surface Area: 43.18 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: 1.31
• LOG S: -1.44
• Polar Surface Area: 43.18 Å^2
• Rotatable Bonds: 6