Common name
2-butyl-4H-1,2-thiazol-3-one
IUPAC name
2-butyl-4H-1,2-thiazol-3-one
SMILES
CCCCN1SC=CC1=O
Common name
2-butyl-4H-1,2-thiazol-3-one
IUPAC name
2-butyl-4H-1,2-thiazol-3-one
SMILES
CCCCN1SC=CC1=O
INCHI
InChI=1S/C7H13NOS/c1-2-3-5-8-7(9)4-6-10-8/h6,8H,2-5H2,1H3/q+1
FORMULA
C7H13NOS
Common name
2-butyl-4H-1,2-thiazol-3-one
IUPAC name
2-butyl-4H-1,2-thiazol-3-one
Molecular weight
158.241
clogP
0.125
clogS
-1.400
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
3
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03226 | octhilinone |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 4jlg_ligand_2_9.mol2 | 4jlg | 0.348485 | -6.71 | C(=O)(N1CCCC1)CC | 9 |
| 3aho_ligand_2_70.mol2 | 3aho | 0.348485 | -6.39 | C(=O)(N1CCCC1)CC | 9 |
| 1doj_ligand_2_11.mol2 | 1doj | 0.348485 | -6.36 | C(C(=O)N1CCCC1)C | 9 |
| 1g7q_ligand_1_2.mol2 | 1g7q | 0.348485 | -6.31 | C(C)C(=O)N1CCCC1 | 9 |
| 3f68_ligand_2_2.mol2 | 3f68 | 0.348485 | -6.30 | CCC(=O)N1CCCC1 | 9 |
152 ,
16
