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

• ChemBase ID: 641867
• Molecular Formular: C16H22N4O2S
• Molecular Mass: 334.43648
• Monoisotopic Mass: 334.14634696
• SMILES: c12c(nc(s1)N)CCN(C(=O)C1CCN(C(=O)C3CC3)CC1)C2
• Canonical SMILES: O=C(N1CCc2c(C1)sc(n2)N)C1CCN(CC1)C(=O)C1CC1
• InChI: InChI=1S/C16H22N4O2S/c17-16-18-12-5-8-20(9-13(12)23-16)15(22)11-3-6-19(7-4-11)14(21)10-1-2-10/h10-11H,1-9H2,(H2,17,18)
• InChIKey: AQRPYHYVHIYZFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-(1-cyclopropanecarbonylpiperidine-4-carbonyl)-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-{[1-(cyclopropylcarbonyl)-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): 0.32544556
• LogD (pH = 7.4): 0.35078803
• Log P: 0.3511215
• Molar Refractivity: 88.1666 cm^3
• Polarizability: 33.478786 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: 0.14
• LOG S: -3.07
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 2