Completing data — usually done within a minute
Basic information
- CAS
193400-53-2- Standard SMILES
COC(=O)c1sc2ncc(C)cc2c1N- InChIKey
PXLWKZVQBQJIBS-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629856
Names & identifiers
- Preferred name
- Methyl 3-amino-5-methylthieno[2,3-b]pyridine-2-carboxylate
- IUPAC
- methyl 3-amino-5-methylthieno[2,3-b]pyridine-2-carboxylate
Names & synonyms
methyl 3-amino-5-methylthieno[2,3-b]pyridine-2-carboxylate193400-53-2SCHEMBL7846025PXLWKZVQBQJIBS-UHFFFAOYSA-NDTXSID001194171Methyl 3-amino5-methyl-thieno[2,3-b]pyridine-2-carboxylateMethyl 3-amino-5-methyl-thieno[2,3-b]pyridine-2-carboxylate
Database identifiers
- CAS
193400-53-2- PubChem CID
- 18796992
- DTXSID
DTXSID001194171
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
2 records
Compound notes
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