Basic information
- CAS
82559-72-6- Standard SMILES
COc1cccc(OC)c1C(=O)Nc1nnc(C(C)C)s1- InChIKey
MOFQTPAHZWVYNY-UHFFFAOYSA-N- Molecular formula
- C14H17N3O3S
- Average molar mass
- 307.37 g/mol
- Monoisotopic mass
- 307.09906259
Names & identifiers
- Preferred name
- Benzamide, 2,6-dimethoxy-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-
- IUPAC
- 2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
Names & synonyms
82559-72-6N-(5-ISOPROPYL-1,3,4-THIADIAZOL-2-YL)-2,6-DIMETHOXYBENZAMIDE2,6-dimethoxy-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]benzamide2,6-dimethoxy-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamideBenzamide, 2,6-dimethoxy-N-[5-(1-methylethyl)-1,3,4-thiadiazol-2-yl]-Oprea1_151657Oprea1_436552MLS000112546SCHEMBL9713599CHEMBL1412072DTXSID00351387HMS2469G17
Show more names
STK106801STK637492AKOS000540147AKOS005569132SMR000108459ST025618EU-0045177AB00121859-01
Database identifiers
- CAS
82559-72-6- PubChem CID
- 698933
- DTXSID
DTXSID00351387- ChEMBL
CHEMBL1412072
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 344
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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