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

• ChemBase ID: 393816
• Molecular Formular: C15H15N5OS2
• Molecular Mass: 345.4425
• Monoisotopic Mass: 345.07180213
• SMILES: c1(cc(n[nH]1)c1sc(cc1)C)C(=O)N1Cc2c(nc(s2)N)CC1
• Canonical SMILES: Cc1ccc(s1)c1n[nH]c(c1)C(=O)N1CCc2c(C1)sc(n2)N
• InChI: InChI=1S/C15H15N5OS2/c1-8-2-3-12(22-8)10-6-11(19-18-10)14(21)20-5-4-9-13(7-20)23-15(16)17-9/h2-3,6H,4-5,7H2,1H3,(H2,16,17)(H,18,19)
• InChIKey: CWPWGDQBMQWEOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[3-(5-methylthiophen-2-yl)-1H-pyrazole-5-carbonyl]-4H,5H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• IUPAC Traditional name: 5-[5-(5-methylthiophen-2-yl)-2H-pyrazole-3-carbonyl]-4H,6H,7H-[1,3]thiazolo[5,4-c]pyridin-2-amine
• Synonyms: 5-{[3-(5-methyl-2-thienyl)-1H-pyrazol-5-yl]carbonyl}-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.9589815
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.3664289
• LogD (pH = 7.4): 2.3803816
• Log P: 2.392249
• Molar Refractivity: 91.7157 cm^3
• Polarizability: 34.68778 Å^3
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.58
• LOG S: -2.21
• Polar Surface Area: 87.9 Å^2
• Rotatable Bonds: 2