5-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine

• ChemBase ID: 380393
• Molecular Formular: C17H24N4O2S
• Molecular Mass: 348.46306
• Monoisotopic Mass: 348.16199703
• SMILES: c12c(nc(s1)N)CCN(C(=O)C1CCN(C(=O)C3CCC3)CC1)C2
• Canonical SMILES: O=C(N1CCc2c(C1)sc(n2)N)C1CCN(CC1)C(=O)C1CCC1
• InChI: InChI=1S/C17H24N4O2S/c18-17-19-13-6-9-21(10-14(13)24-17)16(23)12-4-7-20(8-5-12)15(22)11-2-1-3-11/h11-12H,1-10H2,(H2,18,19)
• InChIKey: SSFPOMZZZUSSFB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-(1-cyclobutanecarbonylpiperidine-4-carbonyl)-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-{[1-(cyclobutylcarbonyl)-4-piperidinyl]carbonyl}-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.546246
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.77001405
• LogD (pH = 7.4): 0.7953567
• Log P: 0.7956902
• Molar Refractivity: 92.7676 cm^3
• Polarizability: 35.309048 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.71
• LOG S: -2.35
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2