N-(4-acetylphenyl)-1,2,5-thiadiazole-3-carboxamide
Basic information
- CAS
700860-69-1- Standard SMILES
CC(=O)c1ccc(NC(=O)c2cnsn2)cc1- InChIKey
QYWTXGNHLXJEOI-UHFFFAOYSA-N- Molecular formula
- C11H9N3O2S
- Average molar mass
- 247.28 g/mol
- Monoisotopic mass
- 247.04154771
Names & identifiers
- Preferred name
- N-(4-acetylphenyl)-1,2,5-thiadiazole-3-carboxamide
- IUPAC
- N-(4-acetylphenyl)-1,2,5-thiadiazole-3-carboxamide
- English name
- 1,2,5-Thiadiazole-3-carboxamide,N-(4-acetylphenyl)-(9CI)
- Molecular formula
- C11H9N3O2S
- Molecular weight
- 247.27306
Names & synonyms
N-(4-acetylphenyl)-1,2,5-thiadiazole-3-carboxamide700860-69-1MLS000765126CHEMBL1327474DTXSID601329813HMS2729N10AKOS000603385SMR0002885311,2,5-Thiadiazole-3-carboxamide,N-(4-acetylphenyl)-(9CI)
Database identifiers
- CAS
700860-69-1- PubChem CID
- 977067
- DTXSID
DTXSID601329813- ChEMBL
CHEMBL1327474
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 303
Experimental & physicochemical properties
Solubility29.1 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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