2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
Basic information
- CAS
488088-08-0- Standard SMILES
COc1ccccc1C(=O)N(C)c1nnc(-c2ccccc2)s1- InChIKey
XACIAOKXMBKTFF-UHFFFAOYSA-N- Molecular formula
- C17H15N3O2S
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.0884979
Names & identifiers
- Preferred name
- 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
- IUPAC
- 2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide
Names & synonyms
2-methoxy-N-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)benzamide488088-08-0MLS001183624CHEMBL1378477DTXSID501324927HMS2837H21STK079564AKOS002225720SMR000502779ST50105817(2-methoxyphenyl)-N-methyl-N-(5-phenyl(1,3,4-thiadiazol-2-yl))carboxamide
Database identifiers
- CAS
488088-08-0- PubChem CID
- 897595
- DTXSID
DTXSID501324927- ChEMBL
CHEMBL1378477
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Experimental & physicochemical properties
Solubility0.6 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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