N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

• ChemBase ID: 774335
• Molecular Formular: C16H15N3O3S
• Molecular Mass: 329.3736
• Monoisotopic Mass: 329.08341236
• SMILES: c1(n2c(nc1C)scc2)C(=O)NCC1Oc2c(OC1)cccc2
• Canonical SMILES: O=C(c1c(C)nc2n1ccs2)NCC1COc2c(O1)cccc2
• InChI: InChI=1S/C16H15N3O3S/c1-10-14(19-6-7-23-16(19)18-10)15(20)17-8-11-9-21-12-4-2-3-5-13(12)22-11/h2-7,11H,8-9H2,1H3,(H,17,20)
• InChIKey: BLTXZHZQNZXUHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: N-(2,3-dihydro-1,4-benzodioxin-2-ylmethyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.742204
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.292695
• LogD (pH = 7.4): 1.293548
• Log P: 1.2935588
• Molar Refractivity: 96.6731 cm^3
• Polarizability: 32.391502 Å^3
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.83
• LOG S: -4.02
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 3