2-Cyano-N-(4-methyl-1,3-benzothiazol-2-yl)ethanimidic acid
Basic information
- CAS
160893-84-5- Standard SMILES
Cc1cccc2sc(NC(=O)CC#N)nc12- InChIKey
IAYWDBNJLASWPG-UHFFFAOYSA-N- Molecular formula
- C11H9N3OS
- Average molar mass
- 231.28 g/mol
- Monoisotopic mass
- 231.04663309
Names & identifiers
- Preferred name
- 2-Cyano-N-(4-methyl-1,3-benzothiazol-2-yl)ethanimidic acid
- IUPAC
- 2-cyano-N-(4-methyl-1,3-benzothiazol-2-yl)acetamide
Names & synonyms
160893-84-5DTXSID509364262-Cyano-N-(4-methyl-1,3-benzothiazol-2-yl)ethanimidic acidRefChem:1062897DTXCID1013650342-Cyano-N-(4-methyl-2-benzothiazolyl)acetamideAcetamide, 2-cyano-N-(4-methyl-2-benzothiazolyl)-Cyano-N-(4-methyl-1,3-benzothiazol-2-yl)ethanimidic acid
Database identifiers
- CAS
160893-84-5- PubChem CID
- 3074716
- DTXSID
DTXSID50936426- Nikkaji
- J625.710K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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