Molecule ID: 136264487

IUPAC Name: 3-(4-methylthiadiazol-5-yl)-6-(trichloromethyl)-1,7a-dihydro-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

Description: The molecule is a triazolothiadiazole that is 1,7a-dihydro[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole substituted by a 4-methyl-1,2,3-thiadiazol-5-yl group at position 3 and by a trichloromethyl group at position 6. It is a fungicide with a wide spectrum of activity and inhibits the enzymatic activity of pyruvate kinase. It has a role as a fungicide and an EC 2.7.1.40 (pyruvate kinase) inhibitor. It is a member of thiadiazoles, an organochlorine compound and a triazolothiadiazole.

SMILES: Cc1nnsc1C1=NNC2SC(C(Cl)(Cl)Cl)=NN12

SELFIES: [C][C][N][=N][S][C][=Ring1][Branch1][C][=N][N][C][S][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][N][Ring1][N][Ring1][=Branch2]

InChI: InChI=1S/C7H5Cl3N6S2/c1-2-3(18-15-11-2)4-12-13-6-16(4)14-5(17-6)7(8,9)10/h6,13H,1H3

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: 3.4