4-(3-Bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
Basic information
- CAS
864835-24-5- Standard SMILES
COc1ccc(-c2csc(C)n2)cc1Br- InChIKey
OMSSNTRYIIEBGA-UHFFFAOYSA-N- Molecular formula
- C11H10BrNOS
- Average molar mass
- 284.17 g/mol
- Monoisotopic mass
- 282.96665
Names & identifiers
- Preferred name
- 4-(3-Bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
- IUPAC
- 4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole
Names & synonyms
4-(3-bromo-4-methoxyphenyl)-2-methyl-1,3-thiazole864835-24-5MLS000684072CHEMBL1440667DTXSID301323004HMS2728G12MFCD05983448STK515023AKOS001174087BS-32924SMR000291716CS-0210327
Show more names
ST452094034-(3-bromo-4-methoxy-phenyl)-2-methyl-thiazoleZ488506772-bromo-1-methoxy-4-(2-methyl(1,3-thiazol-4-yl))benzene
Database identifiers
- CAS
864835-24-5- PubChem CID
- 886409
- DTXSID
DTXSID301323004- ChEMBL
CHEMBL1440667
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Experimental & physicochemical properties
Solubility14.8 [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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