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

• ChemBase ID: 790691
• Molecular Formular: C14H19N5OS
• Molecular Mass: 305.39856
• Monoisotopic Mass: 305.13103125
• SMILES: c1(C(=O)N2Cc3c(nc(s3)N)CC2)c(n(nc1)CCC)C
• Canonical SMILES: CCCn1ncc(c1C)C(=O)N1CCc2c(C1)sc(n2)N
• InChI: InChI=1S/C14H19N5OS/c1-3-5-19-9(2)10(7-16-19)13(20)18-6-4-11-12(8-18)21-14(15)17-11/h7H,3-6,8H2,1-2H3,(H2,15,17)
• InChIKey: GVRSZGKXPPXVIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.546202
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1930186
• LogD (pH = 7.4): 1.2183974
• Log P: 1.2187313
• Molar Refractivity: 94.7661 cm^3
• Polarizability: 30.540749 Å^3
• Polar Surface Area: 77.04 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.38
• LOG S: -1.75
• Polar Surface Area: 77.04 Å^2
• Rotatable Bonds: 3