N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide

• ChemBase ID: 655695
• Molecular Formular: C18H21N5OS
• Molecular Mass: 355.45724
• Monoisotopic Mass: 355.14668132
• SMILES: c12n(cc(n1)CCNC(=O)C(N1CCCC1)c1cnccc1)ccs2
• Canonical SMILES: O=C(C(c1cccnc1)N1CCCC1)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C18H21N5OS/c24-17(20-7-5-15-13-23-10-11-25-18(23)21-15)16(22-8-1-2-9-22)14-4-3-6-19-12-14/h3-4,6,10-13,16H,1-2,5,7-9H2,(H,20,24)
• InChIKey: OPZMUEIKMDFYMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-2-(pyridin-3-yl)-2-(pyrrolidin-1-yl)acetamide
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-2-(3-pyridinyl)-2-(1-pyrrolidinyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.846141
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6794731
• LogD (pH = 7.4): 0.8450021
• Log P: 1.0724033
• Molar Refractivity: 108.7778 cm^3
• Polarizability: 37.40921 Å^3
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.33
• LOG S: -2.48
• Polar Surface Area: 62.53 Å^2
• Rotatable Bonds: 6