N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

• ChemBase ID: 849406
• Molecular Formular: C19H21N5OS
• Molecular Mass: 367.46794
• Monoisotopic Mass: 367.14668132
• SMILES: c12nc(cn1ncs2)C(NC(=O)Cc1c2c([nH]c1C)c(cc(c2)C)C)C
• Canonical SMILES: O=C(Cc1c(C)[nH]c2c1cc(C)cc2C)NC(c1nc2n(c1)ncs2)C
• InChI: InChI=1S/C19H21N5OS/c1-10-5-11(2)18-15(6-10)14(12(3)22-18)7-17(25)21-13(4)16-8-24-19(23-16)26-9-20-24/h5-6,8-9,13,22H,7H2,1-4H3,(H,21,25)
• InChIKey: BTZXWFDWGNUTNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• IUPAC Traditional name: N-(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
• Synonyms: N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.33475
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.5365784
• LogD (pH = 7.4): 3.5370479
• Log P: 3.5370543
• Molar Refractivity: 124.5385 cm^3
• Polarizability: 39.749516 Å^3
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -4.84
• Polar Surface Area: 75.08 Å^2
• Rotatable Bonds: 4