Basic information
- Standard SMILES
O=C(O)c1ccc(Sc2cc(Br)cnc2Nc2nc3cccnc3s2)cc1- InChIKey
VXCBYLNSUXOIPS-UHFFFAOYSA-N- Molecular formula
- C18H11BrN4O2S2
- Average molar mass
- 459.3 g/mol
Names & identifiers
- Preferred name
- 4-(5-Bromo-2-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)benzoic acid
- IUPAC
- 4-[[5-bromo-2-([1,3]thiazolo[5,4-b]pyridin-2-ylamino)-3-pyridinyl]sulfanyl]benzoic acid
Names & synonyms
SCHEMBL1328592VXCBYLNSUXOIPS-UHFFFAOYSA-N4-(5-Bromo-2-(thiazolo[5,4-b]pyridin-2-ylamino)pyridin-3-ylthio)benzoic acid
Database identifiers
- PubChem CID
- 57742598
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 524
Related reactions
4 records
Compound notes
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