Basic information
- Standard SMILES
Cc1csc(Nc2ncc(Br)cc2OC2CCNC2)n1.Cl.Cl- InChIKey
QKHDNNACTIQSMX-UHFFFAOYSA-N- Molecular formula
- C13H17BrCl2N4OS
- Average molar mass
- 428.2 g/mol
- Monoisotopic mass
- 425.96835
Names & identifiers
- Preferred name
- N-(5-bromo-3-(pyrrolidin-3-yloxy)pyridin-2-yl)-4-methylthiazol-2-amine dihydrochloride
- IUPAC
- N-(5-bromo-3-pyrrolidin-3-yloxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine;dihydrochloride
Names & synonyms
SCHEMBL1328666QKHDNNACTIQSMX-UHFFFAOYSA-NN-(5-bromo-3-(pyrrolidin-3-yloxy)pyridin-2-yl)-4-methylthiazol-2-amine dihydrochloride
Database identifiers
- PubChem CID
- 24764798
Properties
Computed structural properties
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 325
Related reactions
6 records
Compound notes
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