4-(2-Chloro-4-Methoxy-5-Methylphenyl)-N-[(1S)-2-Cyclopropyl-1-(3-Fluoro-4-Methylphenyl)Ethyl]-5-Methyl-N-(2-Propyn-1-Yl)-1,3-Thiazol-2-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C27H28ClFN2OS
IUPAC Name 4-(2-chloro-4-methoxy-5-methyl-phenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methyl-phenyl)ethyl]-5-methyl-n-prop-2-ynyl-thiazol-2-amine
Molecular Mass 483.040 g·mol−1
Heat of Formation 117.0 ± 16.7 kJ·mol−1
Dipole Moment 2.50 ± 1.08 D
Volume 533.47 Å 3
Surface Area 413.56 Å 2
HOMO Energy -8.27 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(2-chloro-4-methoxy-5-methyl-phenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methyl-phenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine
  • 4-(2-chloro-4-methoxy-5-methyl-phenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methyl-phenyl)ethyl]-5-methyl-n-prop-2-ynyl-thiazol-2-amine
  • 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-1,3-thiazol-2-amine
  • 4-(2-chloro-4-methoxy-5-methylphenyl)-n-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-n-prop-2-ynyl-2-thiazolamine
  • [4-(2-chloro-4-methoxy-5-methyl-phenyl)-5-methyl-thiazol-2-yl]-[(1s)-2-cyclopropyl-1-(3-fluoro-4-methyl-phenyl)ethyl]-propargyl-amine
  • pdsp1_000883
  • pdsp2_000869
  • ssr 125543
CAS Number(s)
  • 752253-39-7
InChIKey IEAKXXNRGSLYTQ-DEOSSOPVSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements C F H Cl O N S