thiamet G

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 37
Total Number of Articles : 40
PubChem 135566354
Molecular Formula

C9H16N2O4S

SMILES

CCN=C1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O

InChI

InChI=1S/C9H16N2O4S/c1-2-10-9-11-5-7(14)6(13)4(3-12)15-8(5)16-9/h4-8,12-14H,2-3H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1

synonyms
  • Thiamet-G
  • CHEMBL1213603
  • 5H-Pyrano[3,2-d]thiazole-6,7-diol, 2-(ethylamino)-3a,6,7,7a-tetrahydro-5-(hydroxymethyl)-, (3aR,5R,6S,7R,7aR)-
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Properties
Property Value
MW 248.30 g/mol
HBD 4
HBA 6
Rotatable Bond Count 2
Exact Mass 248.08307817 g/mol
Monoisotopic Mass 248.08307817 g/mol
Heavy Atom Count 16
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 1
Complexity 289
xlogp -0.7
Topological Polar Surface Area 120