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Home> Hot Product Listed 2   > 2-tert-butyl-4-methyl-n-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide
1203217-52-0 structure

2-tert-butyl-4-methyl-n-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-thiazole-5-carboxamide

Iupac Name:N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-benzothiazole-2-carboxamide
CAS No.:1203217-52-0
Molecular Weight:358.412
Molecular Formula:C18H23FN2O3 (isomer)
Names and Identifiers
Synonyms

2-tert-butyl-4-methyl-n-{3-[(1h-pyrazol-1-yl)methyl]phenyl}-1,3-thiazole-5-carboxamide MCULE-6586519470 MOLPORT-027-702-937 Z951858048 ZINC84062062

Inchi
InChI=1S/C18H18N2O4S/c1-22-13-8-11(9-14(23-2)16(13)24-3)10-19-17(21)18-20-12-6-4-5-7-15(12)25-18/h4-9H,10H2,1-3H3,(H,19,21)
InChkey
UPROGDFDKYJDEO-UHFFFAOYSA-N
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)CNC(=O)C2=NC3=CC=CC=C3S2
Computational chemical data
  • Molecular Weight:358.412g/mol
  • Molecular Formula:C18H23FN2O3
  • Compound Is Canonicalized:True
  • Exact Mass:358.099
  • Monoisotopic Mass:358.099
  • Complexity:439
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:97.9A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQQAAAADAzB3gYyx7LIFAis AyVyVACD+KBjKjhImLy+7JgNZ6LksbuUMCplxhXq6Aew8B4OIAABCAAAQQBAAAIQAACCAAAAAAAA AA==
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