Basic information
- CAS
338424-98-9- Standard SMILES
Cc1sc2ncnc(SCC(=O)N3CCCCC3)c2c1C- InChIKey
QXQZHMMNFMUNFD-UHFFFAOYSA-N- Molecular formula
- C15H19N3OS2
- Average molar mass
- 321.5 g/mol
- Monoisotopic mass
- 321.09695459
Names & identifiers
- Preferred name
- 2-(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
- IUPAC
- 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone
Names & synonyms
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-piperidin-1-ylethanone338424-98-9MLS001215372CHEMBL1523222DTXSID601329170HMS2890J07STK938309AKOS0005896442-(5,6-Dimethyl-thieno[2,3-d]pyrimidin-4-ylsulfanyl)-1-piperidin-1-yl-ethanoneSMR000611216ST50011790Z20230638
Show more names
2-(5,6-dimethylthiopheno[3,2-e]pyrimidin-4-ylthio)-1-piperidylethan-1-one2-((5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio)-1-(piperidin-1-yl)ethanone2-[(5,6-Dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethan-1-one2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl]-1-(piperidin-1-yl)ethanone
Database identifiers
- CAS
338424-98-9- PubChem CID
- 798359
- DTXSID
DTXSID601329170- ChEMBL
CHEMBL1523222
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
Experimental & physicochemical properties
Solubility5.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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