N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 587252
• Molecular Formular: C19H22N4OS
• Molecular Mass: 354.46918
• Monoisotopic Mass: 354.15143234
• SMILES: c1(c([nH]c2c1c(ccc2C)C)C)CC(=O)NCc1nc2n(c1)CCS2
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1c(C)ccc2C)NCc1cn2c(n1)SCC2
• InChI: InChI=1S/C19H22N4OS/c1-11-4-5-12(2)18-17(11)15(13(3)21-18)8-16(24)20-9-14-10-23-6-7-25-19(23)22-14/h4-5,10,21H,6-9H2,1-3H3,(H,20,24)
• InChIKey: OKQCSVNXLBGCLV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-{2H,3H-imidazo[2,1-b][1,3]thiazol-6-ylmethyl}-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(2,4,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.272269
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.1032417
• LogD (pH = 7.4): 3.1447442
• Log P: 3.1453016
• Molar Refractivity: 102.8114 cm^3
• Polarizability: 39.899784 Å^3
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.74
• LOG S: -3.27
• Polar Surface Area: 62.71 Å^2
• Rotatable Bonds: 4