N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

• ChemBase ID: 629962
• Molecular Formular: C14H18N4O3S
• Molecular Mass: 322.38272
• Monoisotopic Mass: 322.10996146
• SMILES: c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(C(c1nc(cs1)C)C)C
• Canonical SMILES: Cc1csc(n1)C(N(C(=O)c1cc(=O)n(c(=O)n1C)C)C)C
• InChI: InChI=1S/C14H18N4O3S/c1-8-7-22-12(15-8)9(2)16(3)13(20)10-6-11(19)18(5)14(21)17(10)4/h6-7,9H,1-5H3
• InChIKey: YPWRDKNHJLOJMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
• IUPAC Traditional name: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2,6-dioxopyrimidine-4-carboxamide
• Synonyms: N,1,3-trimethyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.016537355
• LogD (pH = 7.4): 0.016662316
• Log P: 0.016663909
• Molar Refractivity: 82.917 cm^3
• Polarizability: 31.054363 Å^3
• Polar Surface Area: 73.82 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: 1.31
• LOG S: -2.67
• Polar Surface Area: 77.2 Å^2
• Rotatable Bonds: 3