2-(3-{2-amino-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl}piperidin-1-yl)acetamide

• ChemBase ID: 432419
• Molecular Formular: C14H21N5O2S
• Molecular Mass: 323.41384
• Monoisotopic Mass: 323.14159594
• SMILES: c12c(nc(s1)N)CCN(C(=O)C1CN(CC(=O)N)CCC1)C2
• Canonical SMILES: NC(=O)CN1CCCC(C1)C(=O)N1CCc2c(C1)sc(n2)N
• InChI: InChI=1S/C14H21N5O2S/c15-12(20)8-18-4-1-2-9(6-18)13(21)19-5-3-10-11(7-19)22-14(16)17-10/h9H,1-8H2,(H2,15,20)(H2,16,17)
• InChIKey: UBMSLGQIERUGCE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-{2-amino-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl}piperidin-1-yl)acetamide
• IUPAC Traditional name: 2-(3-{2-amino-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridine-5-carbonyl}piperidin-1-yl)acetamide
• Synonyms: 2-{3-[(2-amino-6,7-dihydro[1,3]thiazolo[5,4-c]pyridin-5(4H)-yl)carbonyl]-1-piperidinyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.7636
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -2.8007023
• LogD (pH = 7.4): -1.1593347
• Log P: -0.8286209
• Molar Refractivity: 84.249 cm^3
• Polarizability: 32.063057 Å^3
• Polar Surface Area: 105.55 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.72
• LOG S: -2.25
• Polar Surface Area: 105.55 Å^2
• Rotatable Bonds: 3