Basic information
- Standard SMILES
Br.COC(=S)c1cc(-c2csc(Nc3ccc(C)cc3Br)n2)c(C)s1- InChIKey
GCABRYLUNLQGMX-UHFFFAOYSA-N- Molecular formula
- C17H16Br2N2OS3
- Average molar mass
- 520.3 g/mol
- Monoisotopic mass
- 517.87915
Names & identifiers
- Preferred name
- Methyl 4-{2-[(2-bromo-4-methylphenyl)amino](1,3-thiazol-4-yl)}-5-methylthiothiophene-2-carboxylate hydrobromide
- IUPAC
- O-methyl 4-[2-(2-bromo-4-methylanilino)-1,3-thiazol-4-yl]-5-methylthiophene-2-carbothioate;hydrobromide
Names & synonyms
SCHEMBL6926679GCABRYLUNLQGMX-UHFFFAOYSA-Nmethyl 4-{2-[(2-bromo-4-methylphenyl)amino](1,3-thiazol-4-yl)}-5-methylthiothiophene-2-carboxylate hydrobromide
Database identifiers
- PubChem CID
- 86758682
Properties
Computed structural properties
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 456
Related reactions
2 records
Compound notes
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