4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile

HCID 21980031
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Basic information

Standard SMILES
CC1CCCN1CCc1nc2cc(-c3ccc(C#N)cc3)ccc2s1
InChIKey
BVEFCDIUDHIHNR-UHFFFAOYSA-N
Molecular formula
C21H21N3S
Average molar mass
347.5 g/mol

Names & identifiers

Preferred name
4-{2-[2-(2-Methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile
IUPAC
4-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazol-5-yl]benzonitrile

Names & synonyms

SCHEMBL489298BVEFCDIUDHIHNR-UHFFFAOYSA-N4-{2-[2-(2-methyl-pyrrolidin-1-yl)-ethyl]-benzothiazol-5-yl}-benzonitrile

Database identifiers

PubChem CID
21980031

Properties

Computed structural properties

XLogP
5
Topological polar surface area
68.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
25

Related reactions

4 records
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Linked notes

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