N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-(piperidin-3-yl)benzamide

• ChemBase ID: 563314
• Molecular Formular: C19H22N4OS
• Molecular Mass: 354.46918
• Monoisotopic Mass: 354.15143234
• SMILES: c12n(cc(n1)CCNC(=O)c1ccc(cc1)C1CNCCC1)ccs2
• Canonical SMILES: O=C(c1ccc(cc1)C1CCCNC1)NCCc1cn2c(n1)scc2
• InChI: InChI=1S/C19H22N4OS/c24-18(21-9-7-17-13-23-10-11-25-19(23)22-17)15-5-3-14(4-6-15)16-2-1-8-20-12-16/h3-6,10-11,13,16,20H,1-2,7-9,12H2,(H,21,24)
• InChIKey: FUVZXSOCGFYYLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-(piperidin-3-yl)benzamide
• IUPAC Traditional name: N-(2-{imidazo[2,1-b][1,3]thiazol-6-yl}ethyl)-4-(piperidin-3-yl)benzamide
• Synonyms: N-(2-imidazo[2,1-b][1,3]thiazol-6-ylethyl)-4-piperidin-3-ylbenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.133022
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.1443355
• LogD (pH = 7.4): -0.41378918
• Log P: 2.0935435
• Molar Refractivity: 111.6213 cm^3
• Polarizability: 38.005634 Å^3
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 3.27
• LOG S: -4.58
• Polar Surface Area: 58.43 Å^2
• Rotatable Bonds: 5