2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)acetamide

• ChemBase ID: 601522
• Molecular Formular: C14H20N4OS
• Molecular Mass: 292.3998
• Monoisotopic Mass: 292.13578228
• SMILES: c1(n(ccn1)C)CN(C(=O)Cc1nc(sc1)C)C(C)C
• Canonical SMILES: CC(N(C(=O)Cc1csc(n1)C)Cc1nccn1C)C
• InChI: InChI=1S/C14H20N4OS/c1-10(2)18(8-13-15-5-6-17(13)4)14(19)7-12-9-20-11(3)16-12/h5-6,9-10H,7-8H2,1-4H3
• InChIKey: DRNFJLJDGFAYEO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-methylimidazol-2-yl)methyl]acetamide
• Synonyms: N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.54540265
• LogD (pH = 7.4): 1.0776623
• Log P: 1.09534
• Molar Refractivity: 79.2168 cm^3
• Polarizability: 30.312067 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.18
• LOG S: -2.8
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 5