4-(5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 700970
• Molecular Formular: C14H19N5OS
• Molecular Mass: 305.39856
• Monoisotopic Mass: 305.13103125
• SMILES: c1(ncc(s1)CN1Cc2n(cnc2)CC1)N1CCOCC1
• Canonical SMILES: O1CCN(CC1)c1ncc(s1)CN1CCn2c(C1)cnc2
• InChI: InChI=1S/C14H19N5OS/c1-2-19-11-15-7-12(19)9-17(1)10-13-8-16-14(21-13)18-3-5-20-6-4-18/h7-8,11H,1-6,9-10H2
• InChIKey: UHERJITVNFMLGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{5H,6H,7H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(5-{5H,6H,8H-imidazo[1,5-a]pyrazin-7-ylmethyl}-1,3-thiazol-2-yl)morpholine
• Synonyms: 7-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.19036417
• LogD (pH = 7.4): 0.8132952
• Log P: 0.85782355
• Molar Refractivity: 82.9422 cm^3
• Polarizability: 31.093948 Å^3
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -1.63
• LOG S: 0.52
• Polar Surface Area: 46.42 Å^2
• Rotatable Bonds: 3