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
- Formal charge
- 0
- Complexity
- 398
Related reactions
5 records
Linked notes
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