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

• ChemBase ID: 628142
• Molecular Formular: C11H16N4O2S
• Molecular Mass: 268.33534
• Monoisotopic Mass: 268.09939677
• SMILES: c12c(nc(s1)N)CCN(C(=O)C1OCCNC1)C2
• Canonical SMILES: O=C(N1CCc2c(C1)sc(n2)N)C1CNCCO1
• InChI: InChI=1S/C11H16N4O2S/c12-11-14-7-1-3-15(6-9(7)18-11)10(16)8-5-13-2-4-17-8/h8,13H,1-6H2,(H2,12,14)
• InChIKey: UNMLHAXFDDRWFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(morpholine-2-carbonyl)-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-(morpholine-2-carbonyl)-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-(2-morpholinylcarbonyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.529093
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8592887
• LogD (pH = 7.4): -1.1375567
• Log P: -0.64028853
• Molar Refractivity: 67.724 cm^3
• Polarizability: 26.030972 Å^3
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -1.25
• LOG S: -1.4
• Polar Surface Area: 80.48 Å^2
• Rotatable Bonds: 1