N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide

• ChemBase ID: 688503
• Molecular Formular: C16H20N4O3S
• Molecular Mass: 348.42
• Monoisotopic Mass: 348.12561152
• SMILES: c12nc(cn1CCS2)CNC(=O)c1cc(oc1)CN1CCOCC1
• Canonical SMILES: O=C(c1coc(c1)CN1CCOCC1)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C16H20N4O3S/c21-15(17-8-13-9-20-3-6-24-16(20)18-13)12-7-14(23-11-12)10-19-1-4-22-5-2-19/h7,9,11H,1-6,8,10H2,(H,17,21)
• InChIKey: UJJNTMWOHZGCQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-5-(morpholin-4-ylmethyl)furan-3-carboxamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-5-(4-morpholinylmethyl)-3-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.741508
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.25015202
• LogD (pH = 7.4): 0.6163515
• Log P: 0.623113
• Molar Refractivity: 92.4495 cm^3
• Polarizability: 34.972427 Å^3
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -0.65
• LOG S: -2.5
• Polar Surface Area: 72.53 Å^2
• Rotatable Bonds: 5