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Basic information
- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)CN1C(=Nc3cccnc3)SCC1C2- InChIKey
NWMHQFAINKTYCG-UHFFFAOYSA-N- Molecular formula
- C16H14N4O2S
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.08374688
Names & identifiers
- Preferred name
- 7-nitro-N-pyridin-3-yl-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-imine
- IUPAC
- 7-nitro-N-pyridin-3-yl-1,5,10,10a-tetrahydro-[1,3]thiazolo[3,4-b]isoquinolin-3-imine
Names & synonyms
SCHEMBL11728996
Database identifiers
- PubChem CID
- 21392516
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 99.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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