N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

• ChemBase ID: 220971
• Molecular Formular: C25H27N3O5S
• Molecular Mass: 481.56398
• Monoisotopic Mass: 481.16714198
• SMILES: c1(sc(nc1C)c1cc(c(c(c1)OC)OC)OC)C(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)c1sc(nc1C)c1cc(OC)c(c(c1)OC)OC)c[nH]2
• InChI: InChI=1S/C25H27N3O5S/c1-14-23(34-25(28-14)16-10-20(31-3)22(33-5)21(11-16)32-4)24(29)26-9-8-15-13-27-19-7-6-17(30-2)12-18(15)19/h6-7,10-13,27H,8-9H2,1-5H3,(H,26,29)
• InChIKey: OJGYLXGHQUDQKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methyl-2-(3,4,5-trimethoxyphenyl)-1,3-thiazole-5-carboxamide

Database IDs

• PubChem SID: 164276881
• PubChem CID: 42507077

CALCULATED PROPERTIES

• Acid pKa: 14.100506
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 3.4761355
• LogD (pH = 7.4): 3.4761457
• Log P: 3.476146
• Molar Refractivity: 141.0256 cm^3
• Polarizability: 51.54021 Å^3
• Polar Surface Area: 94.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds