N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

• ChemBase ID: 364241
• Molecular Formular: C15H20N4O2S
• Molecular Mass: 320.4099
• Monoisotopic Mass: 320.1306969
• SMILES: C1(=C(NC(=O)NC1C)C)C(=O)NCCc1nc2c(s1)CCC2
• Canonical SMILES: O=C1NC(C)C(=C(N1)C)C(=O)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C15H20N4O2S/c1-8-13(9(2)18-15(21)17-8)14(20)16-7-6-12-19-10-4-3-5-11(10)22-12/h8H,3-7H2,1-2H3,(H,16,20)(H2,17,18,21)
• InChIKey: WDMKLECWVLRSAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.623091
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.26002476
• LogD (pH = 7.4): 0.26080897
• Log P: 0.2608213
• Molar Refractivity: 85.014 cm^3
• Polarizability: 31.962963 Å^3
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.99
• LOG S: -3.24
• Polar Surface Area: 83.12 Å^2
• Rotatable Bonds: 4