N-methyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

• ChemBase ID: 393154
• Molecular Formular: C17H13N5O3S
• Molecular Mass: 367.38182
• Monoisotopic Mass: 367.0739103
• SMILES: c1(c(=O)n2c(nc1)scc2)C(=O)N(Cc1nc(no1)c1ccccc1)C
• Canonical SMILES: CN(C(=O)c1cnc2n(c1=O)ccs2)Cc1onc(n1)c1ccccc1
• InChI: InChI=1S/C17H13N5O3S/c1-21(10-13-19-14(20-25-13)11-5-3-2-4-6-11)15(23)12-9-18-17-22(16(12)24)7-8-26-17/h2-9H,10H2,1H3
• InChIKey: PTVBIJWUESWCGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• IUPAC Traditional name: N-methyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
• Synonyms: N-methyl-5-oxo-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.7399223
• LogD (pH = 7.4): 2.7399223
• Log P: 2.7399223
• Molar Refractivity: 107.472 cm^3
• Polarizability: 36.62723 Å^3
• Polar Surface Area: 91.9 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 0.06
• LOG S: -3.24
• Polar Surface Area: 93.6 Å^2
• Rotatable Bonds: 4