Basic information
- CAS
6229-88-5- Standard SMILES
CCC1CCCCN1C(=O)CSCC(=O)Nc1nc(-c2ccc(C)c(C)c2)cs1- InChIKey
RYLUPFBGQMPILQ-UHFFFAOYSA-N- Molecular formula
- C22H29N3O2S2
- Average molar mass
- 431.6 g/mol
- Monoisotopic mass
- 431.17011952
Names & identifiers
- Preferred name
- N-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}acetamide
- IUPAC
- N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
Names & synonyms
6229-88-5Oprea1_343758DTXSID40410523N-[4-(3,4-Dimethylphenyl)-1,3-thiazol-2-yl]-2-{[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl}acetamide
Database identifiers
- CAS
6229-88-5- PubChem CID
- 5214799
- DTXSID
DTXSID40410523
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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