Basic information
- CAS
775314-46-0- Standard SMILES
CCc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1- InChIKey
RFZODBOKJZLKMT-UHFFFAOYSA-N- Molecular formula
- C14H14N4OS
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.08883226
Names & identifiers
- Preferred name
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
- IUPAC
- N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
Names & synonyms
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamideMLS000517434CHEMBL1487815DTXSID801330444HMS2693F24AKOS017036715775314-46-0SMR000343439SR-01000055927SR-01000055927-1Z26824696
Database identifiers
- CAS
775314-46-0- PubChem CID
- 2117341
- DTXSID
DTXSID801330444- ChEMBL
CHEMBL1487815
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Experimental & physicochemical properties
Solubility41.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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