3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide

• ChemBase ID: 129607
• Molecular Formular: C26H29N5O4S
• Molecular Mass: 507.60456
• Monoisotopic Mass: 507.19402543
• SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccccc1c1cn2c(csc2n1)CN1CCNCC1
• Canonical SMILES: COc1cc(cc(c1OC)OC)C(=O)Nc1ccccc1c1cn2c(n1)scc2CN1CCNCC1
• InChI: InChI=1S/C26H29N5O4S/c1-33-22-12-17(13-23(34-2)24(22)35-3)25(32)28-20-7-5-4-6-19(20)21-15-31-18(16-36-26(31)29-21)14-30-10-8-27-9-11-30/h4-7,12-13,15-16,27H,8-11,14H2,1-3H3,(H,28,32)
• InChIKey: SBEWVVLMFLTQFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide
• IUPAC Traditional name: 3,4,5-trimethoxy-N-{2-[3-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl}benzamide
• Synonyms: SRT1460

Database IDs

• PubChem SID: 162223897
• PubChem CID: 24180124
• Chemspider ID: 23315250
• Wikipedia Title: SRT1460

CALCULATED PROPERTIES

• Acid pKa: 11.0723915
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -1.0621102
• LogD (pH = 7.4): 0.49216616
• Log P: 2.2142465
• Molar Refractivity: 152.3753 cm^3
• Polarizability: 54.61743 Å^3
• Polar Surface Area: 89.36 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false