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

• ChemBase ID: 686865
• Molecular Formular: C15H16N4O2S2
• Molecular Mass: 348.44314
• Monoisotopic Mass: 348.07146777
• SMILES: c1(c(=O)n2c(nc1)scc2)C(=O)N(C(c1nc(sc1C)C)C)C
• Canonical SMILES: Cc1sc(c(n1)C(N(C(=O)c1cnc2n(c1=O)ccs2)C)C)C
• InChI: InChI=1S/C15H16N4O2S2/c1-8(12-9(2)23-10(3)17-12)18(4)13(20)11-7-16-15-19(14(11)21)5-6-22-15/h5-8H,1-4H3
• InChIKey: RUXNEOPNTVCOLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.9140108
• LogD (pH = 7.4): 1.9172524
• Log P: 1.9172939
• Molar Refractivity: 90.7949 cm^3
• Polarizability: 34.40095 Å^3
• Polar Surface Area: 65.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.8
• LOG S: -2.37
• Polar Surface Area: 67.57 Å^2
• Rotatable Bonds: 3