2-[2-(2-Tert-butylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Basic information
- CAS
927995-80-0- Standard SMILES
Cc1nc(CCOc2ccccc2C(C)(C)C)sc1C(=O)O- InChIKey
FEGXHANWGAADNS-UHFFFAOYSA-N- Molecular formula
- C17H21NO3S
- Average molar mass
- 319.4 g/mol
- Monoisotopic mass
- 319.12421471
Names & identifiers
- Preferred name
- 2-[2-(2-Tert-butylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
- IUPAC
- 2-[2-(2-tert-butylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acid
Names & synonyms
927995-80-05-Thiazolecarboxylic acid, 2-[2-[2-(1,1-dimethylethyl)phenoxy]ethyl]-4-methyl-DTXSID0011423182-[2-(2-tert-butylphenoxy)ethyl]-4-methyl-1,3-thiazole-5-carboxylic acidAKOS0026700292-[2-[2-(1,1-Dimethylethyl)phenoxy]ethyl]-4-methyl-5-thiazolecarboxylic acid
Database identifiers
- CAS
927995-80-0- PubChem CID
- 4980908
- DTXSID
DTXSID001142318
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 383
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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