3-[3-(2-methyl-3-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
Basic information
- CAS
951966-18-0- Standard SMILES
Cc1occc1-c1nnc2sc(-c3c[nH]c4ccccc34)nn12- InChIKey
XDEOEHHMFZIBRH-UHFFFAOYSA-N- Molecular formula
- C16H11N5OS
- Average molar mass
- 321.4 g/mol
Names & identifiers
- Preferred name
- 3-[3-(2-methyl-3-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
- IUPAC
- 6-(1H-indol-3-yl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
- English name
- 3-[3-(2-methylfuran-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole
- Molecular formula
- C16H11N5OS
- Molecular weight
- 321.36
Names & synonyms
HMS3469F22STK624907AKOS0049392153-[3-(2-methyl-3-furyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indoleAO-365/434732193-[3-(2-methylfuran-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-1H-indole6-(1H-indol-3-yl)-3-(2-methylfuran-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole1H-Indole, 3-[3-(2-methyl-3-furanyl)-1,2,4-triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-
Database identifiers
- CAS
951966-18-0
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…