N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

• ChemBase ID: 658705
• Molecular Formular: C15H19N5OS
• Molecular Mass: 317.40926
• Monoisotopic Mass: 317.13103125
• SMILES: c1(nn(c2c1CCCC2)C)C(=O)NCc1nc2n(c1)CCS2
• Canonical SMILES: O=C(c1nn(c2c1CCCC2)C)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C15H19N5OS/c1-19-12-5-3-2-4-11(12)13(18-19)14(21)16-8-10-9-20-6-7-22-15(20)17-10/h9H,2-8H2,1H3,(H,16,21)
• InChIKey: MOGHKEQJKLCSLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-1-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-1-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.12764
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8279885
• LogD (pH = 7.4): 1.8694712
• Log P: 1.8700283
• Molar Refractivity: 98.4865 cm^3
• Polarizability: 32.443924 Å^3
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.1
• LOG S: -2.45
• Polar Surface Area: 64.74 Å^2
• Rotatable Bonds: 3