N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-3-amine

• ChemBase ID: 405753
• Molecular Formular: C19H20N4O3S
• Molecular Mass: 384.4521
• Monoisotopic Mass: 384.12561152
• SMILES: c1(nc2n(c1)ccs2)C(=O)N1CC(Nc2cc3c(OCCO3)cc2)CCC1
• Canonical SMILES: O=C(c1cn2c(n1)scc2)N1CCCC(C1)Nc1ccc2c(c1)OCCO2
• InChI: InChI=1S/C19H20N4O3S/c24-18(15-12-23-6-9-27-19(23)21-15)22-5-1-2-14(11-22)20-13-3-4-16-17(10-13)26-8-7-25-16/h3-4,6,9-10,12,14,20H,1-2,5,7-8,11H2
• InChIKey: IKCIHNXRVBLXTF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-3-amine
• IUPAC Traditional name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}piperidin-3-amine
• Synonyms: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-3-piperidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.5570431
• LogD (pH = 7.4): 1.7276142
• Log P: 1.7302896
• Molar Refractivity: 114.4636 cm^3
• Polarizability: 38.400677 Å^3
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.22
• LOG S: -5.07
• Polar Surface Area: 68.1 Å^2
• Rotatable Bonds: 3