Common name
3,4,5-trimethylthiazole
IUPAC name
3,4,5-trimethylthiazole
SMILES
CN1C(=C(S[CH]1)C)C
Common name
3,4,5-trimethylthiazole
IUPAC name
3,4,5-trimethylthiazole
SMILES
CN1C(=C(S[CH]1)C)C
INCHI
InChI=1S/C6H10NS/c1-5-6(2)8-4-7(5)3/h4H,1-3H3
FORMULA
C6H10NS
Common name
3,4,5-trimethylthiazole
IUPAC name
3,4,5-trimethylthiazole
Molecular weight
128.215
clogP
1.183
clogS
-1.443
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
32.12
Number of Rings
1
Rotatable Bond
0
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD00043 | Thiamine |
|
Vitamin B Complex; Vitamins; Alimentary Tract and Metabolism; Vitamin B1, Plain; | For the treatment of thiamine and niacin deficiency states, Korsakov's alcoholic psychosis, Wernicke-Korsakov syndrome, delirium, and peripheral neuritis. |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3f6e_ligand_2_32.mol2 | 3f6e | 1 | -6.36 | Cc1sc[n+](C)c1C | 8 |
| 1tka_ligand_2_7.mol2 | 1tka | 1 | -6.22 | Cc1sc[n+](c1C)C | 8 |
| 3hwx_ligand_2_7.mol2 | 3hwx | 1 | -6.17 | C[n+]1csc(c1C)C | 8 |
| 2qta_ligand_2_7.mol2 | 2qta | 1 | -6.12 | [n+]1(csc(c1C)C)C | 8 |
168 ,
17
