5-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide

• ChemBase ID: 547991
• Molecular Formular: C15H15N5O3S
• Molecular Mass: 345.3763
• Monoisotopic Mass: 345.08956037
• SMILES: c1(c2CN(C(=O)c3nc4n(c3)ccs4)CCc2on1)C(=O)N(C)C
• Canonical SMILES: CN(C(=O)c1noc2c1CN(CC2)C(=O)c1cn2c(n1)scc2)C
• InChI: InChI=1S/C15H15N5O3S/c1-18(2)14(22)12-9-7-19(4-3-11(9)23-17-12)13(21)10-8-20-5-6-24-15(20)16-10/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: YURKMSDXFFSILV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N,N-dimethyl-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• IUPAC Traditional name: 5-{imidazo[2,1-b][1,3]thiazole-6-carbonyl}-N,N-dimethyl-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
• Synonyms: 5-(imidazo[2,1-b][1,3]thiazol-6-ylcarbonyl)-N,N-dimethyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.018888677
• LogD (pH = 7.4): -0.018857472
• Log P: -0.018857075
• Molar Refractivity: 99.8641 cm^3
• Polarizability: 31.905144 Å^3
• Polar Surface Area: 83.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -1.12
• LOG S: -2.07
• Polar Surface Area: 83.95 Å^2
• Rotatable Bonds: 2