2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-methyl-N-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}acetamide

• ChemBase ID: 575618
• Molecular Formular: C14H20N6OS
• Molecular Mass: 320.4132
• Monoisotopic Mass: 320.14193029
• SMILES: c1(n(cnn1)C(C)C)CN(C(=O)Cc1n2c(=NCC2)sc1)C
• Canonical SMILES: O=C(N(Cc1nncn1C(C)C)C)Cc1csc2=NCCn12
• InChI: InChI=1S/C14H20N6OS/c1-10(2)20-9-16-17-12(20)7-18(3)13(21)6-11-8-22-14-15-4-5-19(11)14/h8-10H,4-7H2,1-3H3
• InChIKey: NCHKQEZOGZYSLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-methyl-N-{[4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methyl}acetamide
• IUPAC Traditional name: 2-{5H,6H-imidazo[2,1-b][1,3]thiazol-3-yl}-N-[(4-isopropyl-1,2,4-triazol-3-yl)methyl]-N-methylacetamide
• Synonyms: 2-(5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-yl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.3261234
• LogD (pH = 7.4): -0.71143204
• Log P: -0.69358796
• Molar Refractivity: 89.8558 cm^3
• Polarizability: 32.78027 Å^3
• Polar Surface Area: 66.62 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.37
• LOG S: -2.53
• Polar Surface Area: 66.62 Å^2
• Rotatable Bonds: 5