Basic information
- Standard SMILES
Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)C=Cc1ccc3c(c1)OCO3)CC2- InChIKey
MGLBWQSMIZJWBQ-UHFFFAOYSA-N- Molecular formula
- C23H20N4O4S
- Average molar mass
- 448.5 g/mol
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-5-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
- IUPAC
- N-(2-aminophenyl)-5-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Names & synonyms
SCHEMBL977828MGLBWQSMIZJWBQ-UHFFFAOYSA-NN-(2-aminophenyl)-5-[3-(1,3-benzodioxol-5-yl)prop-2-enoyl]-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 66864671
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 737
Related reactions
2 records
Compound notes
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