4-(propan-2-yl)-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,2,3-thiadiazole-5-carboxamide

• ChemBase ID: 335801
• Molecular Formular: C19H20N6OS
• Molecular Mass: 380.4667
• Monoisotopic Mass: 380.14193029
• SMILES: c1(c(nns1)C(C)C)C(=O)NC1c2c(nc(nc2)c2cnccc2)CCC1
• Canonical SMILES: O=C(c1snnc1C(C)C)NC1CCCc2c1cnc(n2)c1cccnc1
• InChI: InChI=1S/C19H20N6OS/c1-11(2)16-17(27-25-24-16)19(26)23-15-7-3-6-14-13(15)10-21-18(22-14)12-5-4-8-20-9-12/h4-5,8-11,15H,3,6-7H2,1-2H3,(H,23,26)
• InChIKey: OXCXTZUKKIXWPQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(propan-2-yl)-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,2,3-thiadiazole-5-carboxamide
• IUPAC Traditional name: 4-isopropyl-N-[2-(pyridin-3-yl)-5,6,7,8-tetrahydroquinazolin-5-yl]-1,2,3-thiadiazole-5-carboxamide
• Synonyms: 4-isopropyl-N-(2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl)-1,2,3-thiadiazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.435854
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 2.6375692
• LogD (pH = 7.4): 2.6458192
• Log P: 2.6462955
• Molar Refractivity: 114.1972 cm^3
• Polarizability: 39.313847 Å^3
• Polar Surface Area: 93.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 2.59
• LOG S: -4.19
• Polar Surface Area: 93.55 Å^2
• Rotatable Bonds: 4