Cimetidine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 408
Total Number of Articles : 1022
PubChem 2756
Molecular Formula

C10H16N6S

SMILES

CC1=C(N=CN1)CSCCNC(=NC)NC#N

InChI

InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)

synonyms
  • cimetidine
  • 51481-61-9
  • Tagamet
Click to show/hide the synonyms
Properties
Property Value
MW 252.34 g/mol
HBD 3
HBA 4
Rotatable Bond Count 7
Exact Mass 252.11571571 g/mol
Monoisotopic Mass 252.11571571 g/mol
Heavy Atom Count 17
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 296
xlogp 0.4
Topological Polar Surface Area 114