2-[2-(Diethylamino)ethyl]-6-phenyl-isothiazolo[5,4-d]pyrimidin-3(2H)-one

HCID 9905503

Basic information

Standard SMILES
CCN(CC)CCn1sc2nc(-c3ccccc3)ncc2c1=O
InChIKey
HYEMHECJGVDYPV-UHFFFAOYSA-N
Molecular formula
C17H20N4OS
Average molar mass
328.4 g/mol
Monoisotopic mass
328.13578245

Names & identifiers

Preferred name
2-[2-(Diethylamino)ethyl]-6-phenyl-isothiazolo[5,4-d]pyrimidin-3(2H)-one
IUPAC
2-[2-(diethylamino)ethyl]-6-phenyl-[1,2]thiazolo[5,4-d]pyrimidin-3-one

Names & synonyms

SCHEMBL8085660HYEMHECJGVDYPV-UHFFFAOYSA-N2-[2-(Diethylamino)ethyl]-6-phenyl-isothiazolo[5,4-d]pyrimidin-3(2H)-one2-[2-(Diethylamino)ethyl]-6-phenyl-isothiazolo[5,4-d] pyrimidin-3(2H)-one

Database identifiers

PubChem CID
9905503

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
74.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
23

Related reactions

5 records

Linked notes

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