6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide

• ChemBase ID: 457761
• Molecular Formular: C16H18N4O3S
• Molecular Mass: 346.40412
• Monoisotopic Mass: 346.10996146
• SMILES: c1(n2c(nc1C)scc2)C(=O)N[C@@H]1[C@H](Cc2onc(c2)C)COC1
• Canonical SMILES: Cc1noc(c1)C[C@@H]1COC[C@@H]1NC(=O)c1c(C)nc2n1ccs2
• InChI: InChI=1S/C16H18N4O3S/c1-9-5-12(23-19-9)6-11-7-22-8-13(11)18-15(21)14-10(2)17-16-20(14)3-4-24-16/h3-5,11,13H,6-8H2,1-2H3,(H,18,21)/t11-,13+/m1/s1
• InChIKey: AWZCPHBDCBJLNR-YPMHNXCESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• IUPAC Traditional name: 6-methyl-N-[(3R,4S)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
• Synonyms: 6-methyl-N-{(3R*,4S*)-4-[(3-methylisoxazol-5-yl)methyl]tetrahydrofuran-3-yl}imidazo[2,1-b][1,3]thiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.8443
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.13700749
• LogD (pH = 7.4): 0.1378593
• Log P: 0.13787018
• Molar Refractivity: 100.744 cm^3
• Polarizability: 33.218483 Å^3
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -3.44
• Polar Surface Area: 81.66 Å^2
• Rotatable Bonds: 4