N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide

• ChemBase ID: 730019
• Molecular Formular: C19H25N3O2S
• Molecular Mass: 359.4857
• Monoisotopic Mass: 359.16674806
• SMILES: n1c(sc2c1CCC2)CCNC(=O)C1CN(Cc2occc2)CCC1
• Canonical SMILES: O=C(C1CCCN(C1)Cc1ccco1)NCCc1sc2c(n1)CCC2
• InChI: InChI=1S/C19H25N3O2S/c23-19(20-9-8-18-21-16-6-1-7-17(16)25-18)14-4-2-10-22(12-14)13-15-5-3-11-24-15/h3,5,11,14H,1-2,4,6-10,12-13H2,(H,20,23)
• InChIKey: IAMJKXJRKWSTDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• IUPAC Traditional name: N-(2-{4H,5H,6H-cyclopenta[d][1,3]thiazol-2-yl}ethyl)-1-(furan-2-ylmethyl)piperidine-3-carboxamide
• Synonyms: N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-1-(2-furylmethyl)-3-piperidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.145058
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6177007
• LogD (pH = 7.4): 1.1169417
• Log P: 2.328127
• Molar Refractivity: 98.1813 cm^3
• Polarizability: 37.79053 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.55
• LOG S: -4.0
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6