Basic information
- CAS
371945-85-6- Standard SMILES
Cc1ccc2c(C(=O)CNc3nncs3)c(C)[nH]c2c1- InChIKey
SSUNPIRBVMIHAX-UHFFFAOYSA-N- Molecular formula
- C14H14N4OS
- Average molar mass
- 286.35 g/mol
- Monoisotopic mass
- 286.08883226
Names & identifiers
- Preferred name
- 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone
- IUPAC
- 1-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanone
Names & synonyms
ChemDiv3_0025491-(2,6-dimethyl-1H-indol-3-yl)-2-(1,3,4-thiadiazol-2-ylamino)ethanoneOprea1_108915Oprea1_656113371945-85-6MLS000767334CHEMBL1371519DTXSID101328860HMS1480D19HMS2790P19CCG-19334AKOS001651082
Show more names
NCGC00182588-01SMR000429665EU-0009941BRD-K67661199-005-01-41-(2,6-Dimethyl-1H-indol-3-yl)-2-([1,3,4]thiadiazol-2-ylamino)-ethanone1-(2,6-Dimethyl-1H-indol-3-yl)-2-[(1,3,4-thiadiazol-2-yl)amino]ethan-1-one2-((1,3,4-thiadiazol-2-yl)amino)-1-(2,6-dimethyl-1H-indol-3-yl)ethanone
Database identifiers
- CAS
371945-85-6- PubChem CID
- 718261
- DTXSID
DTXSID101328860- ChEMBL
CHEMBL1371519
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 98.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 367
Experimental & physicochemical properties
Solubility42.1 [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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