Basic information
- Standard SMILES
c1ccc2c(c1)CC1CSC(=Nc3csc4ncccc34)N1C2- InChIKey
ZQYBXLFYPMTJCG-UHFFFAOYSA-N- Molecular formula
- C18H15N3S2
- Average molar mass
- 337.5 g/mol
- Monoisotopic mass
- 337.07073984
Names & identifiers
- Preferred name
- N-thieno[2,3-b]pyridin-3-yl-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-imine
- IUPAC
- N-thieno[2,3-b]pyridin-3-yl-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-imine
Database identifiers
- PubChem CID
- 12902897
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 82 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
1 records
Compound notes
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