Basic information
- Standard SMILES
Clc1ncc(Br)c(-c2cnc(Sc3ccccc3)s2)n1- InChIKey
ONGQLKMMINLEQM-UHFFFAOYSA-N- Molecular formula
- C13H7BrClN3S2
- Average molar mass
- 384.7 g/mol
- Monoisotopic mass
- 382.89533
Names & identifiers
- Preferred name
- 5-Bromo-2-chloro-4-[2-(phenylthio)thiazol-5-yl]pyrimidine
- IUPAC
- 5-(5-bromo-2-chloropyrimidin-4-yl)-2-phenylsulfanyl-1,3-thiazole
Names & synonyms
SCHEMBL2980750ONGQLKMMINLEQM-UHFFFAOYSA-N5-Bromo-2-chloro-4-[2-(phenylthio)thiazol-5-yl]pyrimidine
Database identifiers
- PubChem CID
- 57428840
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 320
Related reactions
3 records
Compound notes
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