4-(5-{1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-yl)morpholine

• ChemBase ID: 837489
• Molecular Formular: C16H19N5OS2
• Molecular Mass: 361.48496
• Monoisotopic Mass: 361.10310225
• SMILES: c1(c2n(Cc3nc(cs3)CC)ccn2)sc(nc1)N1CCOCC1
• Canonical SMILES: CCc1csc(n1)Cn1ccnc1c1cnc(s1)N1CCOCC1
• InChI: InChI=1S/C16H19N5OS2/c1-2-12-11-23-14(19-12)10-21-4-3-17-15(21)13-9-18-16(24-13)20-5-7-22-8-6-20/h3-4,9,11H,2,5-8,10H2,1H3
• InChIKey: GYCJKWAJQGRHSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-{1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-yl)morpholine
• IUPAC Traditional name: 4-(5-{1-[(4-ethyl-1,3-thiazol-2-yl)methyl]imidazol-2-yl}-1,3-thiazol-2-yl)morpholine
• Synonyms: 4-(5-{1-[(4-ethyl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl}-1,3-thiazol-2-yl)morpholine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.428812
• LogD (pH = 7.4): 2.617669
• Log P: 2.6208527
• Molar Refractivity: 105.3464 cm^3
• Polarizability: 36.43858 Å^3
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.06
• LOG S: -2.74
• Polar Surface Area: 56.07 Å^2
• Rotatable Bonds: 5