4-[2-(furan-2-yl)phenyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine

• ChemBase ID: 700741
• Molecular Formular: C16H15N3OS
• Molecular Mass: 297.3748
• Monoisotopic Mass: 297.09358312
• SMILES: c12c(nc(s1)N)CCNC2c1c(c2occc2)cccc1
• Canonical SMILES: Nc1nc2c(s1)C(NCC2)c1ccccc1c1ccco1
• InChI: InChI=1S/C16H15N3OS/c17-16-19-12-7-8-18-14(15(12)21-16)11-5-2-1-4-10(11)13-6-3-9-20-13/h1-6,9,14,18H,7-8H2,(H2,17,19)
• InChIKey: PHXZWYPQTLHYNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[2-(furan-2-yl)phenyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 4-[2-(furan-2-yl)phenyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 4-[2-(2-furyl)phenyl]-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.717659
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.18738107
• LogD (pH = 7.4): 1.9212747
• Log P: 2.739575
• Molar Refractivity: 83.0139 cm^3
• Polarizability: 32.87638 Å^3
• Polar Surface Area: 64.08 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: 2.62
• LOG S: -3.89
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 5