4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Basic information
- CAS
69818-96-8- Standard SMILES
Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1- InChIKey
JUOZFQFRLAKATR-UHFFFAOYSA-N- Molecular formula
- C11H9N3O3S
- Average molar mass
- 263.27 g/mol
- Monoisotopic mass
- 263.03646233
Names & identifiers
- Preferred name
- 4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
- IUPAC
- 4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
Names & synonyms
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide69818-96-84-Methyl-N-(5-nitro-thiazol-2-yl)-benzamideMLS001207679SMR000514839Cambridge id 5567391Oprea1_166220CHEMBL1564713SCHEMBL22680776BDBM69649cid_2853283REGID_for_CID_2853283
Show more names
DTXSID501330338HMS2830P16STK060782AKOS0006734994-methyl-N-(5-nitro-2-thiazolyl)benzamide4-methyl-N-(5-nitrothiazol-2-yl)benzamideEU-0035604ST50003913
Database identifiers
- CAS
69818-96-8- PubChem CID
- 2853283
- DTXSID
DTXSID501330338- ChEMBL
CHEMBL1564713
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Experimental & physicochemical properties
Solubility27 [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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