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Home> Hot Product Listed Z   > ZINC36754550
1185319-77-0 structure

ZINC36754550

Iupac Name:1-(1,3-thiazol-2-yl)piperidin-4-amine;hydrochloride
CAS No.:1185319-77-0
Molecular Weight:219.731
Molecular Formula:C12H17BRN2O (isomer)
Names and Identifiers
Synonyms

5-methyl-1-(4-methylphenyl)-n-[3-(piperidin-1-yl)propyl]-1h-pyrazole-4-carboxamide MCULE-5999948624 MOLPORT-009-488-928 T6846793 Z296376616

Inchi
InChI=1S/C8H13N3S.ClH/c9-7-1-4-11(5-2-7)8-10-3-6-12-8;/h3,6-7H,1-2,4-5,9H2;1H
InChkey
HUHUYAPRXDETBY-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCC1N)C2=NC=CS2.Cl
Computational chemical data
  • Molecular Weight:219.731g/mol
  • Molecular Formula:C12H17BRN2O
  • Compound Is Canonicalized:True
  • Exact Mass:219.06
  • Monoisotopic Mass:219.06
  • Complexity:145
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:70.4A^2
  • Heavy Atom Count:13
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBzAABEAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAQQAAAACCjFQgStkRNIEAik ABAnZAAA8KlRCjhJQIwYIACAAAIAyAAEAAAIEAKAACAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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