Common name
2-propyl-4H-1,2-thiazol-3-one
IUPAC name
2-propyl-4H-1,2-thiazol-3-one
SMILES
CCCN1SC=CC1=O
Common name
2-propyl-4H-1,2-thiazol-3-one
IUPAC name
2-propyl-4H-1,2-thiazol-3-one
SMILES
CCCN1SC=CC1=O
INCHI
InChI=1S/C6H11NOS/c1-2-4-7-6(8)3-5-9-7/h5,7H,2-4H2,1H3/q+1
FORMULA
C6H11NOS
Common name
2-propyl-4H-1,2-thiazol-3-one
IUPAC name
2-propyl-4H-1,2-thiazol-3-one
Molecular weight
144.215
clogP
-0.183
clogS
-0.985
Frequency
0.0003
HBond Acceptor
1
HBond Donor
0
Total PolarSurface Area
20.31
Number of Rings
1
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | Compound class | Therapeutic area |
|---|---|---|---|---|
| FDBD03226 | octhilinone |
|
Fungicide | Fungicide |
1 ,
1
| FRAGNAME | PDBID | SIMILIRITY | XSCORE | SMILE | HAC |
|---|---|---|---|---|---|
| 3eu5_ligand_5_2947.mol2 | 3eu5 | 0.304348 | -6.42 | N(C(=O)CC)C/C(=C/C)/C | 10 |
| 2f3e_ligand_4_425.mol2 | 2f3e | 0.3 | -7.07 | CC(C)C(=O)NCC(C)C | 10 |
| 2g94_ligand_4_3025.mol2 | 2g94 | 0.3 | -7.06 | C(C(C)C)NC(=O)C(C)C | 10 |
| 2p4j_ligand_4_1315.mol2 | 2p4j | 0.3 | -7.01 | CC(C)C(=O)NCC(C)C | 10 |
| 3ixk_ligand_4_3841.mol2 | 3ixk | 0.3 | -6.97 | C(C)(C)CNC(=O)C(C)C | 10 |
| 3m6p_ligand_5_225.mol2 | 3m6p | 0.3 | -6.86 | C(C(C)C)NC(=O)C(C)C | 10 |
| 2w12_ligand_5_126.mol2 | 2w12 | 0.3 | -6.83 | C(C)(C)C(=O)NCC(C)(C)C | 11 |
307 ,
31
