3-(5-Hydroxymethyl-thiazol-4-yl)-benzoic acid methyl ester
Basic information
- Standard SMILES
COC(=O)c1cccc(-c2ncsc2CO)c1- InChIKey
UHVAXAIDJRUUTK-UHFFFAOYSA-N- Molecular formula
- C12H11NO3S
- Average molar mass
- 249.29 g/mol
Names & identifiers
- Preferred name
- 3-(5-Hydroxymethyl-thiazol-4-yl)-benzoic acid methyl ester
- IUPAC
- methyl 3-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzoate
Names & synonyms
SCHEMBL6166079UHVAXAIDJRUUTK-UHFFFAOYSA-N3-(5-hydroxymethyl-thiazol-4-yl)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 69688643
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 274
Related reactions
3 records
Compound notes
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