(3-{2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine

• ChemBase ID: 450037
• Molecular Formular: C19H29N5OS
• Molecular Mass: 375.53146
• Monoisotopic Mass: 375.20928157
• SMILES: c1(C(=O)N2CCC(c3n(ccn3)CCCN(C)C)CC2)c(nc(s1)C)C
• Canonical SMILES: CN(CCCn1ccnc1C1CCN(CC1)C(=O)c1sc(nc1C)C)C
• InChI: InChI=1S/C19H29N5OS/c1-14-17(26-15(2)21-14)19(25)24-11-6-16(7-12-24)18-20-8-13-23(18)10-5-9-22(3)4/h8,13,16H,5-7,9-12H2,1-4H3
• InChIKey: GMJZVMUHUHKVFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-{2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}propyl)dimethylamine
• IUPAC Traditional name: (3-{2-[1-(dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]imidazol-1-yl}propyl)dimethylamine
• Synonyms: 3-(2-{1-[(2,4-dimethyl-1,3-thiazol-5-yl)carbonyl]piperidin-4-yl}-1H-imidazol-1-yl)-N,N-dimethylpropan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.2035875
• LogD (pH = 7.4): -1.3781078
• Log P: 0.89348257
• Molar Refractivity: 105.9274 cm^3
• Polarizability: 40.027336 Å^3
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.29
• LOG S: -3.5
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6