N-[4-(pyridin-2-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 693693
• Molecular Formular: C15H16N4OS
• Molecular Mass: 300.37874
• Monoisotopic Mass: 300.10448215
• SMILES: c1(nc2n(c1)ccs2)C(=O)NCCCCc1ncccc1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)NCCCCc1ccccn1
• InChI: InChI=1S/C15H16N4OS/c20-14(13-11-19-9-10-21-15(19)18-13)17-8-4-2-6-12-5-1-3-7-16-12/h1,3,5,7,9-11H,2,4,6,8H2,(H,17,20)
• InChIKey: LHWLNGGFDRMQOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[4-(pyridin-2-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[4-(pyridin-2-yl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[4-(2-pyridinyl)butyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.260613
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4792871
• LogD (pH = 7.4): 1.8054153
• Log P: 1.8119326
• Molar Refractivity: 93.1044 cm^3
• Polarizability: 30.821407 Å^3
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.92
• LOG S: -2.58
• Polar Surface Area: 59.29 Å^2
• Rotatable Bonds: 6