(1-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidin-2-yl)methanol

• ChemBase ID: 389499
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c1(c(n2c(n1)scc2)CN1C(CO)CCCC1)C(=O)N1CCCC1
• Canonical SMILES: OCC1CCCCN1Cc1c(nc2n1ccs2)C(=O)N1CCCC1
• InChI: InChI=1S/C17H24N4O2S/c22-12-13-5-1-2-8-20(13)11-14-15(16(23)19-6-3-4-7-19)18-17-21(14)9-10-24-17/h9-10,13,22H,1-8,11-12H2
• InChIKey: RVOSZCCFFRFZSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidin-2-yl)methanol
• IUPAC Traditional name: (1-{[6-(pyrrolidine-1-carbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}piperidin-2-yl)methanol
• Synonyms: (1-{[6-(1-pyrrolidinylcarbonyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl}-2-piperidinyl)methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.1119995
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.6851264
• LogD (pH = 7.4): 0.7721455
• Log P: 0.96432006
• Molar Refractivity: 106.0779 cm^3
• Polarizability: 35.79962 Å^3
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.79
• LOG S: -2.46
• Polar Surface Area: 61.08 Å^2
• Rotatable Bonds: 4