Common name
4,5-dimethylthiazole
IUPAC name
4,5-dimethylthiazole
SMILES
Cc1scnc1C
Common name
4,5-dimethylthiazole
IUPAC name
4,5-dimethylthiazole
SMILES
Cc1scnc1C
INCHI
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
FORMULA
C5H7NS
Common name
4,5-dimethylthiazole
IUPAC name
4,5-dimethylthiazole
Molecular weight
113.181
clogP
2.990
clogS
-1.858
Frequency
0.0003
HBond Acceptor
2
HBond Donor
0
Total PolarSurface Area
41.13
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_1_3.mol2 | 3f6e | 1 | -6.22 | Cc1scnc1C | 7 |
| 4q1c_ligand_2_57.mol2 | 4q1c | 1 | -6.11 | Cc1c(C)ncs1 | 7 |
| 1tka_ligand_1_2.mol2 | 1tka | 1 | -6.10 | Cc1scnc1C | 7 |
| 4jln_ligand_2_36.mol2 | 4jln | 1 | -6.10 | c1nc(c(s1)C)C | 7 |
| 1tkb_ligand_1_2.mol2 | 1tkb | 1 | -6.08 | n1c(c(sc1)C)C | 7 |
| 4kcg_ligand_2_46.mol2 | 4kcg | 1 | -6.06 | Cc1c(ncs1)C | 7 |
| 4q1a_ligand_2_36.mol2 | 4q1a | 1 | -6.06 | Cc1c(ncs1)C | 7 |
118 ,
12
