6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C12H12N8S2 — CID 45276315

IUPAC6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1cc(-c2nn3c(-c4snnc4C)nnc3s2)nn1C
InChIInChI=1S/C12H12N8S2/c1-4-7-5-8(16-19(7)3)11-17-20-10(14-15-12(20)21-11)9-6(2)13-18-22-9/h5H,4H2,1-3H3
InChIKeyFZWLOIJXCIMDKH-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.98
Rot. Bonds3

About 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 45276315) has the molecular formula C12H12N8S2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID45276315
Molecular FormulaC12H12N8S2
Molecular Weight332.42 g/mol
Exact Mass332.06
IUPAC Name6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCCc1cc(-c2nn3c(-c4snnc4C)nnc3s2)nn1C
InChIInChI=1S/C12H12N8S2/c1-4-7-5-8(16-19(7)3)11-17-20-10(14-15-12(20)21-11)9-6(2)13-18-22-9/h5H,4H2,1-3H3
InChIKeyFZWLOIJXCIMDKH-UHFFFAOYSA-N
XLogP1.98
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-ethyl-1-methylpyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006565
3-(4-chloro-1-methylpyrazol-5-yl)-6-[1-methyl-5-(2-methylpropyl)pyrazol-3-yl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71704026
3-(4-bromo-2-fluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 52899392
3-(3,4-difluorophenyl)-6-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 56762992
6-(5-methyl-1H-pyrazol-3-yl)-3-propyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373287
3-ethyl-6-(5-methyl-1H-pyrazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 30373282
6-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-methyl-1-propylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71700897
3-(3,5-dichlorophenyl)-6-(1,3,5-trimethylpyrazol-4-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 45492940
6-(2-fluorophenyl)-3-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 42581251
3-(1-methyl-3-propan-2-ylpyrazol-5-yl)-6-(3-methylthiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71700879
3-ethyl-6-(2,3,5-trichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 50849965
5-bromo-2-(3-ethyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenol
CID 136983529

Frequently Asked Questions

What is the IUPAC name of 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 45276315) is 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is CCc1cc(-c2nn3c(-c4snnc4C)nnc3s2)nn1C.
What is the InChIKey of 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is FZWLOIJXCIMDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8S2/c1-4-7-5-8(16-19(7)3)11-17-20-10(14-15-12(20)21-11)9-6(2)13-18-22-9/h5H,4H2,1-3H3.
What are the key properties of 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 332.42 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-ethyl-1-methylpyrazol-3-yl)-3-(4-methylthiadiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 45276315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).