Basic information
- CAS
1375231-96-1- Standard SMILES
Cc1ccc(C(=O)NCc2nc3ccccc3s2)c(=O)[nH]1- InChIKey
YKDGAGUQGYOTCT-UHFFFAOYSA-N- Molecular formula
- C15H13N3O2S
- Average molar mass
- 299.3 g/mol
- Monoisotopic mass
- 299.07284784
Names & identifiers
- Preferred name
- 3-Pyridinecarboxamide, N-(2-benzothiazolylmethyl)-1,2-dihydro-6-methyl-2-oxo-
- IUPAC
- N-(1,3-benzothiazol-2-ylmethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
Names & synonyms
3-Pyridinecarboxamide, N-(2-benzothiazolylmethyl)-1,2-dihydro-6-methyl-2-oxo-1375231-96-1DTXSID901140290AKOS034478050Z594974564N-[(1,3-benzothiazol-2-yl)methyl]-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
Database identifiers
- CAS
1375231-96-1- PubChem CID
- 72049995
- DTXSID
DTXSID901140290
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 515
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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