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Home> Hot Product Listed N   > n-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine
218594-79-7 structure

n-{[1-(2-methoxyethyl)pyrrolidin-3-yl]methyl}-6-methylimidazo[2,1-b][1,3,4]thiadiazol-2-amine

Iupac Name:[(3S)-morpholin-3-yl]methanol;hydrochloride
CAS No.:218594-79-7
Molecular Weight:153.606
Molecular Formula:C20H19CLN4O2S (isomer)
Names and Identifiers
Synonyms

MCULE-5514359705 MOLPORT-020-129-846 Z909646850

Inchi
InChI=1S/C5H11NO2.ClH/c7-3-5-4-8-2-1-6-5;/h5-7H,1-4H2;1H/t5-;/m0./s1
InChkey
WFLUDHYXVXRFLY-JEDNCBNOSA-N
Canonical Smiles
C1COCC(N1)CO.Cl
Properties
HS Code
2934999090
Computational chemical data
  • Molecular Weight:153.606g/mol
  • Molecular Formula:C20H19CLN4O2S
  • Compound Is Canonicalized:True
  • Exact Mass:153.056
  • Monoisotopic Mass:153.056
  • Complexity:67.4
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.5A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccBiMAAEAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACCjhgAYAAALABgAA AAAAAAAAAAAAAAAAAIAIAAACEAAAAAADQAABEACQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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