N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)amino]acetamide

• ChemBase ID: 503636
• Molecular Formular: C15H20N6OS2
• Molecular Mass: 364.4889
• Monoisotopic Mass: 364.11400129
• SMILES: c12nc(cn1ncs2)C(NCC(=O)Nc1nc(cs1)C(C)(C)C)C
• Canonical SMILES: O=C(Nc1scc(n1)C(C)(C)C)CNC(c1cn2c(n1)scn2)C
• InChI: InChI=1S/C15H20N6OS2/c1-9(10-6-21-14(18-10)24-8-17-21)16-5-12(22)20-13-19-11(7-23-13)15(2,3)4/h6-9,16H,5H2,1-4H3,(H,19,20,22)
• InChIKey: SXRFRRWKXSPBKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)amino]acetamide
• IUPAC Traditional name: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(1-{imidazo[2,1-b][1,3,4]thiadiazol-6-yl}ethyl)amino]acetamide
• Synonyms: N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)amino]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.614701
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.7940354
• LogD (pH = 7.4): 3.064652
• Log P: 3.1775167
• Molar Refractivity: 116.1663 cm^3
• Polarizability: 35.935917 Å^3
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.43
• LOG S: -3.93
• Polar Surface Area: 84.21 Å^2
• Rotatable Bonds: 6