N-(1,2,3-thiadiazol-5-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide

• ChemBase ID: 825975
• Molecular Formular: C10H10N4OS2
• Molecular Mass: 266.3426
• Monoisotopic Mass: 266.02960296
• SMILES: C(=O)(Nc1snnc1)N1Cc2c(scc2)CC1
• Canonical SMILES: O=C(N1CCc2c(C1)ccs2)Nc1cnns1
• InChI: InChI=1S/C10H10N4OS2/c15-10(12-9-5-11-13-17-9)14-3-1-8-7(6-14)2-4-16-8/h2,4-5H,1,3,6H2,(H,12,15)
• InChIKey: VCJLWBHMMYFIDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2,3-thiadiazol-5-yl)-4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• IUPAC Traditional name: N-(1,2,3-thiadiazol-5-yl)-4H,6H,7H-thieno[3,2-c]pyridine-5-carboxamide
• Synonyms: N-1,2,3-thiadiazol-5-yl-6,7-dihydrothieno[3,2-c]pyridine-5(4H)-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.472202
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7566947
• LogD (pH = 7.4): 1.7532603
• Log P: 1.7567394
• Molar Refractivity: 67.7715 cm^3
• Polarizability: 24.616615 Å^3
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.04
• LOG S: -2.03
• Polar Surface Area: 58.12 Å^2
• Rotatable Bonds: 1