1-[6-(4-Bromophenyl)pyrrolo[2,1-b][1,3]thiazol-5-yl]methanamine
Basic information
- CAS
6331-93-7- Standard SMILES
NCc1c(-c2ccc(Br)cc2)cc2sccn12- InChIKey
XEKROBPFSHOYLJ-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2S
- Average molar mass
- 307.21 g/mol
- Monoisotopic mass
- 305.98263
Names & identifiers
- Preferred name
- 1-[6-(4-Bromophenyl)pyrrolo[2,1-b][1,3]thiazol-5-yl]methanamine
- IUPAC
- [6-(4-bromophenyl)pyrrolo[2,1-b][1,3]thiazol-5-yl]methanamine
Names & synonyms
6331-93-7DTXSID404114391-[6-(4-Bromophenyl)pyrrolo[2,1-b][1,3]thiazol-5-yl]methanamine
Database identifiers
- CAS
6331-93-7- PubChem CID
- 5226072
- DTXSID
DTXSID40411439
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 268
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Compound notes
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