Basic information
- CAS
1004035-03-3- Standard SMILES
CCC(CC)C(=O)Nc1ccc2nc(C)sc2c1- InChIKey
PNRSFFPCRDSNLE-UHFFFAOYSA-N- Molecular formula
- C14H18N2OS
- Average molar mass
- 262.37 g/mol
- Monoisotopic mass
- 262.11398438
Names & identifiers
- Preferred name
- 2-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
- IUPAC
- 2-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamide
Names & synonyms
2-Ethyl-N-(2-methyl-6-benzothiazolyl)butanamide2-ethyl-N-(2-methyl-1,3-benzothiazol-6-yl)butanamideDTXSID0012412211004035-03-3
Database identifiers
- CAS
1004035-03-3- PubChem CID
- 7915331
- DTXSID
DTXSID001241221
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…