6-(2-methoxyphenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

• ChemBase ID: 442643
• Molecular Formular: C19H21N3O3S
• Molecular Mass: 371.45334
• Monoisotopic Mass: 371.13036255
• SMILES: n12c(nc(c2)c2c(OC)cccc2)scc1C(=O)NCC1OCCCC1
• Canonical SMILES: COc1ccccc1c1cn2c(n1)scc2C(=O)NCC1CCCCO1
• InChI: InChI=1S/C19H21N3O3S/c1-24-17-8-3-2-7-14(17)15-11-22-16(12-26-19(22)21-15)18(23)20-10-13-6-4-5-9-25-13/h2-3,7-8,11-13H,4-6,9-10H2,1H3,(H,20,23)
• InChIKey: UAMHHLLKQOGMKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(2-methoxyphenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• IUPAC Traditional name: 6-(2-methoxyphenyl)-N-(oxan-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
• Synonyms: 6-(2-methoxyphenyl)-N-(tetrahydro-2H-pyran-2-ylmethyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.952774
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5248098
• LogD (pH = 7.4): 2.5261137
• Log P: 2.5261304
• Molar Refractivity: 111.4481 cm^3
• Polarizability: 39.304676 Å^3
• Polar Surface Area: 64.86 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: 3.15
• LOG S: -5.46
• Polar Surface Area: 64.86 Å^2
• Rotatable Bonds: 4