1-(2,6-Dihydroxy-4-methylphenyl)-2-(2-methylthiazol-4-yl)ethanone
Basic information
- CAS
51625-83-3- Standard SMILES
Cc1cc(O)c(C(=O)Cc2csc(C)n2)c(O)c1- InChIKey
UHYIREWOTHVAID-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- 1-(2,6-Dihydroxy-4-methylphenyl)-2-(2-methylthiazol-4-yl)ethanone
- IUPAC
- 1-(2,6-dihydroxy-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
Names & synonyms
51625-83-31-(2,6-dihydroxy-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethan-1-oneMLS000774963SMR0003681061-(2,6-dihydroxy-4-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanoneF0196-0408Opera_ID_12891-(2,6-dihydroxy-4-methylphenyl)-2-(2-methylthiazol-4-yl)ethanoneOprea1_794330Oprea1_833508CHEMBL1518936SCHEMBL22639680
Show more names
DTXSID201328594HMS2695F20SMSSF-0063959AKOS001033831WAY-629547AB00586126-04SR-01000080126SR-01000080126-1
Database identifiers
- CAS
51625-83-3- PubChem CID
- 763989
- DTXSID
DTXSID201328594- ChEMBL
CHEMBL1518936
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
Solubility4.1 [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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