Basic information
- CAS
5911-57-9- Standard SMILES
Cc1nc2sc(C#N)c(N)c2c(C)c1CC(=O)c1ccccc1- InChIKey
NQKJWLHWESWXTO-UHFFFAOYSA-N- Molecular formula
- C18H15N3OS
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.09358328
Names & identifiers
- Preferred name
- 3-Amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrile
- IUPAC
- 3-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carbonitrile
Names & synonyms
5911-57-93-amino-4,6-dimethyl-5-(2-oxo-2-phenylethyl)thieno[2,3-b]pyridine-2-carbonitrileCBMicro_036858Oprea1_090994DTXSID40974554HTS069893-amino-4,6-dimethyl-5-phenacylthieno[2,3-b]pyridine-2-carbonitrileAKOS005616098CCG-342984NCGC00335997-01BIM-0036877.P001ST4046492
Show more names
AB00100543-01AB00100543-03SR-01000524411SR-01000524411-1
Database identifiers
- CAS
5911-57-9- PubChem CID
- 699686
- DTXSID
DTXSID40974554
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 496
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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