• 
  [Synonyms]
  NCI60_038544
  [Structure]
  
  
  
  [ Properties Computed from Structure]
  

  Molecular Weight	329.33714 [g/mol]
  Molecular Formula	C13H11N7O2S
  XLogP	3.1
  H-Bond Donor	2
  H-Bond Acceptor	8
  Rotatable Bond Count	3
  Tautomer Count	2
  Exact Mass	329.069493
  MonoIsotopic Mass	329.069493
  Topological Polar Surface Area	137
  Heavy Atom Count	23
  Formal Charge	0
  Complexity	497
  Isotope Atom Count	0
  Defined Atom StereoCenter Count	0
  Undefined Atom StereoCenter Count	0
  Defined Bond StereoCenter Count	0
  Undefined Bond StereoCenter Count	1
  Covalently-Bonded Unit Count	1

  
  [ Descriptors Computed from Structure]
  IUPAC Name: 2-[[6-(4-nitrophenyl)imidazo[2,3-b][1,
  3]thiazol-5-yl]methylideneamino]guanidine
  Canonical SMILES: C1=CC(=CC=C1C2=C(N3C=CSC3=N2)C=NN=C(N)N)[N+](=O)[O-]
  InChI: InChI=1/C13H11N7O2S/c14-12(15)18-16-7-10-11(17-13-19(10)5-6-23-13)8-1-3-
  9(4-2-8)20(21)22/h1-7H,(H4,14,15,18)/f/h14-15H2