Basic information
- Standard SMILES
O=C(O)c1cccc(SCc2cnc(Nc3ccccn3)s2)c1- InChIKey
CBCLCOVDVRFNPB-UHFFFAOYSA-N- Molecular formula
- C16H13N3O2S2
- Average molar mass
- 343.4 g/mol
Names & identifiers
- Preferred name
- 3-[2-(Pyridin-2-ylamino)thiazol-5-ylmethylsulfanyl]benzoic acid
- IUPAC
- 3-[[2-(pyridin-2-ylamino)-1,3-thiazol-5-yl]methylsulfanyl]benzoic acid
Names & synonyms
SCHEMBL2858631CBCLCOVDVRFNPB-UHFFFAOYSA-N3-[2-(pyridin-2-ylamino)thiazol-5-ylmethylsulfanyl]benzoic acid
Database identifiers
- PubChem CID
- 22019055
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 400
Related reactions
3 records
Compound notes
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