Basic information
- CAS
851080-13-2- Standard SMILES
O=C(Nc1nc2c(F)cccc2s1)C1=COCCO1- InChIKey
LBEUTIUURCOSIJ-UHFFFAOYSA-N- Molecular formula
- C12H9FN2O3S
- Average molar mass
- 280.28 g/mol
- Monoisotopic mass
- 280.03179149
Names & identifiers
- Preferred name
- N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
- IUPAC
- N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
Names & synonyms
N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamideMLS000419233851080-13-2SMR000319888CHEMBL1584875BDBM32918cid_2159231DTXSID001327283HMS2772E21AKOS024586087N-(4-fluorobenzo[d]thiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamideSR-01000007462
Show more names
SR-01000007462-1F0600-0374N-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxin-5-carboxamideN-(4-fluoro-1,3-benzothiazol-2-yl)-2,3-dihydro-p-dioxin-5-carboxamideN-(4-fluoro-1,3-benzothiazol-2-yl)-5,6-dihydro-1,4-dioxine-2-carboxamideN-(4-fluoranyl-1,3-benzothiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide
Database identifiers
- CAS
851080-13-2- PubChem CID
- 2159231
- DTXSID
DTXSID001327283- ChEMBL
CHEMBL1584875
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 88.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 393
Experimental & physicochemical properties
Solubility20 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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