Basic information
- CAS
104857-27-4- Standard SMILES
O=c1c2cccnc2sn1-c1ccccc1- InChIKey
LUMATLSEPMKELP-UHFFFAOYSA-N- Molecular formula
- C12H8N2OS
- Average molar mass
- 228.27 g/mol
- Monoisotopic mass
- 228.03573406
Names & identifiers
- Preferred name
- Xg076
- IUPAC
- 2-phenyl-[1,2]thiazolo[5,4-b]pyridin-3-one
Names & synonyms
xg076104857-27-4DTXSID10274477RefChem:388471DTXCID80225956TCMDC-1258742-phenylisothiazolo[5,4-b]pyridin-3(2H)-oneIsothiazolo[5,4-b]pyridin-3(2H)-one, 2-phenyl-2-Phenyl-isothiazolo[5,4-b]pyridin-3-oneCHEMBL316658ACMC-20m7olcid_5703
Show more names
SCHEMBL26964521SCHEMBL29798968KUC103883NBDBM50037078KSC-6-1092-(Phenyl)-isothiazolo[5,4-b]pyridin-3(2H)-one2-phenyl[1,2]thiazolo[5,4-b]pyridin-3(2H)-one
Database identifiers
- CAS
104857-27-4- PubChem CID
- 5703
- DTXSID
DTXSID10274477- ChEMBL
CHEMBL316658- Nikkaji
- J608.720E
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 58.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 278
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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