Basic information
- Standard SMILES
Br.Nc1nc(-c2ccc(CCCl)cc2)cs1- InChIKey
XPCPGMSVPJJFPG-UHFFFAOYSA-N- Molecular formula
- C11H12BrClN2S
- Average molar mass
- 319.65 g/mol
- Monoisotopic mass
- 317.95931
Names & identifiers
- Preferred name
- 4-(2-Chloroethyl)phenyl-2-aminothiazole hydrobromide
- IUPAC
- 4-[4-(2-chloroethyl)phenyl]-1,3-thiazol-2-amine;hydrobromide
Names & synonyms
SCHEMBL9519317XPCPGMSVPJJFPG-UHFFFAOYSA-N4-(2-chloroethyl)phenyl-2-aminothiazole hydrobromide4-(4-(2-chloroethyl)phenyl)-2-aminothiazole hydrobromide
Database identifiers
- PubChem CID
- 14726983
Properties
Computed structural properties
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 195
Related reactions
5 records
Compound notes
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