Chem
J-GLOBAL ID：201007050966300726   Nikkaji number：J2.788.046K

SSR-125543

N-[(1S)-1-(3-フルオロ-4-メチルフェニル)-2-シクロプロピルエチル]-N-(2-プロピニル)-4-(2-クロロ-4-メトキシ-5-メチルフェニル)-5-メチル-2-チアゾールアミン
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C27H28ClFN2OS
Molecular formula furigana： C27-H28-CL-F-N2-O-S
Molecular weight： 483.040
InChI： InChI=1S/C27H28ClFN2OS/c1-6-11-31(24(13-19-8-9-19)20-10-7-16(2)23(29)14-20)27-30-26(18(4)33-27)21-12-17(3)25(32-5)15-22(21)28/h1,7,10,12,14-15,19,24H,8-9,11,13H2,2-5H3/t24-/m0/s1
InChI key： IEAKXXNRGSLYTQ-DEOSSOPVSA-N
SMILES： COc1cc(Cl)c(cc1C)c1nc(sc1C)N(CC#C)[C@@H](CC1CC1)c1ccc(C)c(F)c1
Systematic name  (3)：
  • N-[(1S)-1-(3-フルオロ-4-メチルフェニル)-2-シクロプロピルエチル]-N-(2-プロピニル)-4-(2-クロロ-4-メトキシ-5-メチルフェニル)-5-メチル-2-チアゾールアミン
  • 4-(2-クロロ-4-メトキシ-5-メチルフェニル)-N-[(1S)-2-シクロプロピル-1-(3-フルオロ-4-メチルフェニル)エチル]-5-メチル-N-(プロパ-2-イン-1-イル)-1,3-チアゾール-2-アミン
  • 4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-(prop-2-yn-1-yl)-1,3-thiazol-2-amine
Other name (3)：
  • N-[(1S)-1-(3-Fluoro-4-methylphenyl)-2-cyclopropylethyl]-N-(2-propynyl)-4-(2-chloro-4-methoxy-5-methylphenyl)-5-methyl-2-thiazoleamine
  • SSR-125543
  • SSR 125543
CAS registry number： 752253-39-7
KEGG COMPOUND： C14129
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