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6-(2-Chloropyridin-4-yloxy)-2-(methylsulfinyl)benzo[d]thiazole

HCID 57725430
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Basic information

Standard SMILES
CS(=O)c1nc2ccc(Oc3ccnc(Cl)c3)cc2s1
InChIKey
DICNAMLAOZAIIU-UHFFFAOYSA-N
Molecular formula
C13H9ClN2O2S2
Average molar mass
324.8 g/mol

Names & identifiers

Preferred name
6-(2-Chloropyridin-4-yloxy)-2-(methylsulfinyl)benzo[d]thiazole
IUPAC
6-[(2-chloro-4-pyridinyl)oxy]-2-methylsulfinyl-1,3-benzothiazole

Names & synonyms

SCHEMBL2676224DICNAMLAOZAIIU-UHFFFAOYSA-N6-(2-chloropyridin-4-yloxy)-2-(methylsulfinyl)benzo[d]thiazole

Database identifiers

PubChem CID
57725430

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
99.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
20
Formal charge
0
Complexity
374

Related reactions

8 records
New reaction record
HRID 105191 reaction equation
HRID 105191As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 148695 reaction equation
HRID 148695As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 1922238 reaction equation
HRID 1922238As reactantuspto-grants-2012_05
HRID 1922241 reaction equation
HRID 1922241As reactantuspto-grants-2012_05
HRID 1988441 reaction equation
HRID 1988441As reactantuspto-grants-2009_06
HRID 1988444 reaction equation
HRID 1988444As reactantuspto-grants-2009_06
HRID 2370531 reaction equation
HRID 2370531As reactantuspto-grants-2014_04
HRID 2370534 reaction equation
HRID 2370534As reactantuspto-grants-2014_04

Compound notes

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