N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

• ChemBase ID: 762490
• Molecular Formular: C13H14N4O2S
• Molecular Mass: 290.34086
• Monoisotopic Mass: 290.08374671
• SMILES: c1(nc2n(c1)ccs2)C(=O)N(Cc1onc(c1)CC)C
• Canonical SMILES: CCc1noc(c1)CN(C(=O)c1cn2c(n1)scc2)C
• InChI: InChI=1S/C13H14N4O2S/c1-3-9-6-10(19-15-9)7-16(2)12(18)11-8-17-4-5-20-13(17)14-11/h4-6,8H,3,7H2,1-2H3
• InChIKey: HVHFQIOCDFCMAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• IUPAC Traditional name: N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide
• Synonyms: N-[(3-ethyl-5-isoxazolyl)methyl]-N-methylimidazo[2,1-b][1,3]thiazole-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.3179843
• LogD (pH = 7.4): 1.3180187
• Log P: 1.3180192
• Molar Refractivity: 87.1627 cm^3
• Polarizability: 27.780033 Å^3
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.54
• LOG S: -2.63
• Polar Surface Area: 63.64 Å^2
• Rotatable Bonds: 4