N-[2-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide

• ChemBase ID: 129608
• Molecular Formular: C27H24N4O2S
• Molecular Mass: 468.57006
• Monoisotopic Mass: 468.16199703
• SMILES: c1ccc2cc(ccc2c1)C(=O)Nc1ccccc1c1cn2c(csc2n1)CN1CC[C@H](C1)O
• Canonical SMILES: O[C@@H]1CCN(C1)Cc1csc2n1cc(n2)c1ccccc1NC(=O)c1ccc2c(c1)cccc2
• InChI: InChI=1S/C27H24N4O2S/c32-22-11-12-30(15-22)14-21-17-34-27-29-25(16-31(21)27)23-7-3-4-8-24(23)28-26(33)20-10-9-18-5-1-2-6-19(18)13-20/h1-10,13,16-17,22,32H,11-12,14-15H2,(H,28,33)/t22-/m1/s1
• InChIKey: MUFSINOSQBMSLE-JOCHJYFZSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
• IUPAC Traditional name: N-[2-(3-{[(3R)-3-hydroxypyrrolidin-1-yl]methyl}imidazo[2,1-b][1,3]thiazol-6-yl)phenyl]naphthalene-2-carboxamide
• Synonyms: SRT2183

Database IDs

• PubChem SID: 162223898
• PubChem CID: 24180126
• CHEMBL: 403308
• Chemspider ID: 23315224
• Wikipedia Title: SRT2183

CALCULATED PROPERTIES

• Acid pKa: 11.068832
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3943609
• LogD (pH = 7.4): 3.1730483
• Log P: 3.8386
• Molar Refractivity: 147.5394 cm^3
• Polarizability: 53.69242 Å^3
• Polar Surface Area: 69.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Legal Status: Investigational