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Basic information
- Standard SMILES
CC(=O)N1CCC(Cc2csc(Nc3ncc(Sc4ccnc5ccsc45)cc3Oc3ccccc3)n2)CC1- InChIKey
IBQKMYLGWYJZPK-UHFFFAOYSA-N- Molecular formula
- C29H27N5O2S3
- Average molar mass
- 573.8 g/mol
- Monoisotopic mass
- 573.13268864
Names & identifiers
- Preferred name
- 1-(4-((2-(3-Phenoxy-5-(thieno[3,2-b]pyridin-7-ylthio)pyridin-2-ylamino)thiazol-4-yl)methyl)piperidin-1-yl)ethanone
- IUPAC
- 1-[4-[[2-[(3-phenoxy-5-thieno[3,2-b]pyridin-7-ylsulfanyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]methyl]piperidin-1-yl]ethanone
Names & synonyms
SCHEMBL1330887IBQKMYLGWYJZPK-UHFFFAOYSA-N1-(4-((2-(3-phenoxy-5-(thieno[3,2-b]pyridin-7-ylthio)pyridin-2-ylamino)thiazol-4-yl)methyl)piperidin-1-yl)ethanone
Database identifiers
- PubChem CID
- 57742932
Properties
Computed structural propertiesFilling in
- XLogP
- 6.3
- Topological polar surface area
- 162 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 797
Related reactions
4 records
Compound notes
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