N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}butanamide

• ChemBase ID: 370818
• Molecular Formular: C18H27N5OS
• Molecular Mass: 361.50488
• Monoisotopic Mass: 361.19363151
• SMILES: n1(c(ncc1)C1CCN(C(C(=O)N(C)C)CC)CC1)Cc1ncsc1
• Canonical SMILES: CCC(C(=O)N(C)C)N1CCC(CC1)c1nccn1Cc1cscn1
• InChI: InChI=1S/C18H27N5OS/c1-4-16(18(24)21(2)3)22-8-5-14(6-9-22)17-19-7-10-23(17)11-15-12-25-13-20-15/h7,10,12-14,16H,4-6,8-9,11H2,1-3H3
• InChIKey: ZEHHUJUYISOZMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidin-1-yl}butanamide
• IUPAC Traditional name: N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl}butanamide
• Synonyms: N,N-dimethyl-2-{4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]-1-piperidinyl}butanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.7252601
• LogD (pH = 7.4): 0.5217052
• Log P: 1.3625597
• Molar Refractivity: 100.0934 cm^3
• Polarizability: 38.46591 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: 0.52
• LOG S: -2.28
• Polar Surface Area: 54.26 Å^2
• Rotatable Bonds: 6