5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole

• ChemBase ID: 526371
• Molecular Formular: C15H20N4OS
• Molecular Mass: 304.4105
• Monoisotopic Mass: 304.13578228
• SMILES: c1(C(=O)N2CC(n3nc(cc3C)C)CC2)c(nc(s1)C)C
• Canonical SMILES: Cc1sc(c(n1)C)C(=O)N1CCC(C1)n1nc(cc1C)C
• InChI: InChI=1S/C15H20N4OS/c1-9-7-10(2)19(17-9)13-5-6-18(8-13)15(20)14-11(3)16-12(4)21-14/h7,13H,5-6,8H2,1-4H3
• InChIKey: SYUWSZPHLKITBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(3,5-dimethyl-1H-pyrazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole
• IUPAC Traditional name: 5-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole
• Synonyms: 5-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-pyrrolidinyl]carbonyl}-2,4-dimethyl-1,3-thiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.8227614
• LogD (pH = 7.4): 0.8255835
• Log P: 0.82561964
• Molar Refractivity: 94.2547 cm^3
• Polarizability: 31.076399 Å^3
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.75
• LOG S: -2.06
• Polar Surface Area: 51.02 Å^2
• Rotatable Bonds: 2