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

• ChemBase ID: 677788
• Molecular Formular: C17H18N4O3S
• Molecular Mass: 358.41482
• Monoisotopic Mass: 358.10996146
• SMILES: c12=NCCn1c(cs2)CNC(=O)c1cc2oc(nc2cc1)CCOC
• Canonical SMILES: COCCc1nc2c(o1)cc(cc2)C(=O)NCc1csc2=NCCn12
• InChI: InChI=1S/C17H18N4O3S/c1-23-7-4-15-20-13-3-2-11(8-14(13)24-15)16(22)19-9-12-10-25-17-18-5-6-21(12)17/h2-3,8,10H,4-7,9H2,1H3,(H,19,22)
• InChIKey: IANRFCLBXBARNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethyl}-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
• IUPAC Traditional name: N-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-ylmethyl}-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide
• Synonyms: N-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-ylmethyl)-2-(2-methoxyethyl)-1,3-benzoxazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.447918
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.091857955
• LogD (pH = 7.4): 0.62990934
• Log P: 0.6438423
• Molar Refractivity: 96.6042 cm^3
• Polarizability: 37.118355 Å^3
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.59
• LOG S: -2.32
• Polar Surface Area: 79.96 Å^2
• Rotatable Bonds: 6