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Compound
6-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole
HCID
66906121
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Basic information
Names & identifiers
Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
Brc1ccc2nc(N3CCC(N4CCCCC4)C3)sc2c1
InChIKey
QSWPQHLLLDDZLV-UHFFFAOYSA-N
Molecular formula
C16H20BrN3S
Average molar mass
366.3 g/mol
Names & identifiers
Preferred name
6-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole
IUPAC
6-bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole
Names & synonyms
SCHEMBL1096182
Database identifiers
PubChem CID
66906121
Properties
Computed structural properties
XLogP
4.6
Topological polar surface area
47.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Formal charge
0
Complexity
363
Show all 8
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Related reactions
5 records
New reaction record
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As reactant
As product
As reagent
As catalyst
As solvent
HRID
96223
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
188642
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
214620
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID
1113697
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1214975
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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Compound notes
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6-Bromo-2-(3-piperidin-1-ylpyrrolidin-1-yl)-1,3-benzothiazole (HCID 66906121)|Huagongshe