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6-(3-Picolinyloxy)-2-cyanobenzothiazole

HCID 58427770
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
N#Cc1nc2ccc(OCc3cccnc3)cc2s1
InChIKey
XWVITTMTVXMICK-UHFFFAOYSA-N
Molecular formula
C14H9N3OS
Average molar mass
267.31 g/mol

Names & identifiers

Preferred name
6-(3-Picolinyloxy)-2-cyanobenzothiazole
IUPAC
6-(pyridin-3-ylmethoxy)-1,3-benzothiazole-2-carbonitrile

Names & synonyms

SCHEMBL492847XWVITTMTVXMICK-UHFFFAOYSA-N6-(3-Picolinyloxy)-2-cyanobenzothiazole

Database identifiers

PubChem CID
58427770

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
87 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
19
Formal charge
0
Complexity
356

Related reactions

3 records
New reaction record
HRID 166152 reaction equation
HRID 166152As productTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 424455 reaction equation
HRID 424455As productuspto-grants-2012_01
HRID 1618095 reaction equation
HRID 1618095As productuspto-grants-2014_07

Compound notes

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