3-(1-benzyl-1H-imidazol-2-yl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidine

• ChemBase ID: 380739
• Molecular Formular: C19H21N5OS
• Molecular Mass: 367.46794
• Monoisotopic Mass: 367.14668132
• SMILES: c1(C(=O)N2CC(c3n(ccn3)Cc3ccccc3)CCC2)c(nns1)C
• Canonical SMILES: O=C(c1snnc1C)N1CCCC(C1)c1nccn1Cc1ccccc1
• InChI: InChI=1S/C19H21N5OS/c1-14-17(26-22-21-14)19(25)24-10-5-8-16(13-24)18-20-9-11-23(18)12-15-6-3-2-4-7-15/h2-4,6-7,9,11,16H,5,8,10,12-13H2,1H3
• InChIKey: QVYWFFIIQYODMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-benzyl-1H-imidazol-2-yl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidine
• IUPAC Traditional name: 3-(1-benzylimidazol-2-yl)-1-(4-methyl-1,2,3-thiadiazole-5-carbonyl)piperidine
• Synonyms: 3-(1-benzyl-1H-imidazol-2-yl)-1-[(4-methyl-1,2,3-thiadiazol-5-yl)carbonyl]piperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8547957
• LogD (pH = 7.4): 2.4756057
• Log P: 2.502139
• Molar Refractivity: 102.1504 cm^3
• Polarizability: 38.12984 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: 1.43
• LOG S: -3.1
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 4