6-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

• ChemBase ID: 829308
• Molecular Formular: C14H11N3O2S2
• Molecular Mass: 317.38604
• Monoisotopic Mass: 317.02926861
• SMILES: c1(c(=O)n2c(nc1)scc2)C(=O)N1Cc2c(scc2)CC1
• Canonical SMILES: O=C(c1cnc2n(c1=O)ccs2)N1CCc2c(C1)ccs2
• InChI: InChI=1S/C14H11N3O2S2/c18-12(16-3-1-11-9(8-16)2-5-20-11)10-7-15-14-17(13(10)19)4-6-21-14/h2,4-7H,1,3,8H2
• InChIKey: FYJXJELKTHJDJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-{4H,5H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• IUPAC Traditional name: 6-{4H,6H,7H-thieno[3,2-c]pyridine-5-carbonyl}-[1,3]thiazolo[3,2-a]pyrimidin-5-one
• Synonyms: 6-(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-ylcarbonyl)-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7921094
• LogD (pH = 7.4): 1.7921094
• Log P: 1.7921094
• Molar Refractivity: 82.4277 cm^3
• Polarizability: 31.018059 Å^3
• Polar Surface Area: 52.98 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.5
• LOG S: -2.4
• Polar Surface Area: 54.68 Å^2
• Rotatable Bonds: 1