1-(2,4-Dihydroxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
Basic information
- CAS
299951-64-7- Standard SMILES
Cc1nc(CC(=O)c2ccc(O)c(C)c2O)cs1- InChIKey
UMEFGDPTBUAZGO-UHFFFAOYSA-N- Molecular formula
- C13H13NO3S
- Average molar mass
- 263.31 g/mol
- Monoisotopic mass
- 263.06161445
Names & identifiers
- Preferred name
- 1-(2,4-Dihydroxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
- IUPAC
- 1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
Names & synonyms
1-(2,4-dihydroxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanoneOprea1_173402Oprea1_212653299951-64-7MLS000777852CHEMBL1404964DTXSID901328595HMS2752J03AKOS002345401SMR0004142371-(2,4-dihydroxy-3-methylphenyl)-2-(2-methylthiazol-4-yl)ethanone1-(2,4-Dihydroxy-3-methyl-phenyl)-2-(2-methyl-thiazol-4-yl)-ethanone
Show more names
1-(2,4-Dihydroxy-3-methylphenyl)-2-(2-methyl-1,3-thiazol-4-yl)ethan-1-one
Database identifiers
- CAS
299951-64-7- PubChem CID
- 4610652
- DTXSID
DTXSID901328595- ChEMBL
CHEMBL1404964
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
- 313
Experimental & physicochemical properties
Solubility36.7 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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