3M-519S
Basic information
- CAS
69775-48-0- Standard SMILES
O=C(Nc1nc(=O)[nH]s1)c1ccccc1- InChIKey
KDLAEQAKUHJGTN-UHFFFAOYSA-N- Molecular formula
- C9H7N3O2S
- Average molar mass
- 221.24 g/mol
- Monoisotopic mass
- 221.02589765
Names & identifiers
- Preferred name
- 3M-519S
- IUPAC
- N-(3-oxo-1,2,4-thiadiazol-5-yl)benzamide
Names & synonyms
69775-48-03M-519SDTXSID30404193RefChem:283341DTXCID00355047N-(3-Oxo-2,3-dihydro-1,2,4-thiadiazol-5-yl)benzamideN-(3-hydroxy-1,2,4-thiadiazol-5-yl)benzenecarboxamideN-(3-oxo-1,2,4-thiadiazol-5-yl)benzamideMFCD04125105MLS000736063SMR000338613N-(3-Hydroxy-1,2,4-thiadiazol-5-yl)benzamide
Show more names
CHEMBL259516BDBM60185cid_4553009HMS2647O15AKOS005088597AKOS030240369N-(3-keto-1,2,4-thiadiazol-5-yl)benzamideSR-01000309106
Database identifiers
- CAS
69775-48-0- PubChem CID
- 4553009
- DTXSID
DTXSID30404193- ChEMBL
CHEMBL259516- Nikkaji
- J432.402A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 310
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Related reactions
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Compound notes
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