N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide

• ChemBase ID: 585049
• Molecular Formular: C23H25N3OS2
• Molecular Mass: 423.5941
• Monoisotopic Mass: 423.14390444
• SMILES: c1(nc(sc1)c1sccc1)C(=O)N(C1CN(C2Cc3c(C2)cccc3)CCC1)C
• Canonical SMILES: O=C(N(C1CCCN(C1)C1Cc2c(C1)cccc2)C)c1csc(n1)c1cccs1
• InChI: InChI=1S/C23H25N3OS2/c1-25(23(27)20-15-29-22(24-20)21-9-5-11-28-21)18-8-4-10-26(14-18)19-12-16-6-2-3-7-17(16)13-19/h2-3,5-7,9,11,15,18-19H,4,8,10,12-14H2,1H3
• InChIKey: MHWPPPHYFRRGEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]-N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
• Synonyms: N-[1-(2,3-dihydro-1H-inden-2-yl)-3-piperidinyl]-N-methyl-2-(2-thienyl)-1,3-thiazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.8144952
• LogD (pH = 7.4): 3.5601983
• Log P: 4.7147985
• Molar Refractivity: 129.3354 cm^3
• Polarizability: 45.981094 Å^3
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 4.29
• LOG S: -5.39
• Polar Surface Area: 36.44 Å^2
• Rotatable Bonds: 4