3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
Basic information
- CAS
940292-37-5- Standard SMILES
CN1CC[n+]2c(CN3C(=O)c4ccccc4C3=O)csc21.[I-]- InChIKey
WTLJUNZDLKTWRP-UHFFFAOYSA-M- Molecular formula
- C15H14IN3O2S
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.98515
Names & identifiers
- Preferred name
- 3-((1,3-Dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodide
- IUPAC
- 2-[(7-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-3-yl)methyl]isoindole-1,3-dione iodide
Names & synonyms
3-((1,3-dioxoisoindolin-2-yl)methyl)-7-methyl-5,6-dihydroimidazo[2,1-b]thiazol-7-ium iodideMLS000082510940292-37-5CHEMBL1602660DTXSID101382987HMS2311A12AKOS032391938SMR000046343Imidazo[2,1-b]thiazolium, 3-[(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl]-5,6-dihydro-7-methyl-, iodide (1:1)
Database identifiers
- CAS
940292-37-5- PubChem CID
- 665167
- DTXSID
DTXSID101382987- ChEMBL
CHEMBL1602660
Properties
Computed structural properties
- Topological polar surface area
- 72.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
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Related reactions
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Compound notes
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