2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

• ChemBase ID: 538431
• Molecular Formular: C15H21N5O2S
• Molecular Mass: 335.42454
• Monoisotopic Mass: 335.14159594
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)NCCCc1c(ncs1)C
• Canonical SMILES: O=C(Cn1ncc(cc1=O)N(C)C)NCCCc1scnc1C
• InChI: InChI=1S/C15H21N5O2S/c1-11-13(23-10-17-11)5-4-6-16-14(21)9-20-15(22)7-12(8-18-20)19(2)3/h7-8,10H,4-6,9H2,1-3H3,(H,16,21)
• InChIKey: TYOJNLXTFQTPBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.025099
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.12298778
• LogD (pH = 7.4): -0.12265572
• Log P: -0.12265147
• Molar Refractivity: 91.0619 cm^3
• Polarizability: 33.501087 Å^3
• Polar Surface Area: 77.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.06
• LOG S: -2.05
• Polar Surface Area: 80.12 Å^2
• Rotatable Bonds: 7