4-({2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)pyridine

• ChemBase ID: 585108
• Molecular Formular: C19H21N5OS
• Molecular Mass: 367.46794
• Monoisotopic Mass: 367.14668132
• SMILES: c1(nc(sc1)C)C(=O)N1CCC(c2n(ccn2)Cc2ccncc2)CC1
• Canonical SMILES: Cc1scc(n1)C(=O)N1CCC(CC1)c1nccn1Cc1ccncc1
• InChI: InChI=1S/C19H21N5OS/c1-14-22-17(13-26-14)19(25)23-9-4-16(5-10-23)18-21-8-11-24(18)12-15-2-6-20-7-3-15/h2-3,6-8,11,13,16H,4-5,9-10,12H2,1H3
• InChIKey: KONWNEVZBOOILF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]-1H-imidazol-1-yl}methyl)pyridine
• IUPAC Traditional name: 4-({2-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-4-yl]imidazol-1-yl}methyl)pyridine
• Synonyms: 4-[(2-{1-[(2-methyl-1,3-thiazol-4-yl)carbonyl]-4-piperidinyl}-1H-imidazol-1-yl)methyl]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.5140382
• LogD (pH = 7.4): 1.4104325
• Log P: 1.4437197
• Molar Refractivity: 100.751 cm^3
• Polarizability: 38.073925 Å^3
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.25
• LOG S: -1.68
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4