Basic information
- Standard SMILES
Nc1ccccc1NC(=O)c1nc2c(s1)CN(C(=O)CNc1ccc3c(c1)OCO3)CC2- InChIKey
TZFLCKAESCLTFQ-UHFFFAOYSA-N- Molecular formula
- C22H21N5O4S
- Average molar mass
- 451.5 g/mol
Names & identifiers
- Preferred name
- N-(2-aminophenyl)-5-(N-1,3-benzodioxol-5-ylglycyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
- IUPAC
- N-(2-aminophenyl)-5-[2-(1,3-benzodioxol-5-ylamino)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Names & synonyms
SCHEMBL978872TZFLCKAESCLTFQ-UHFFFAOYSA-NN-(2-aminophenyl)-5-(N-1,3-benzodioxol-5-ylglycyl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
Database identifiers
- PubChem CID
- 66865008
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 699
Related reactions
2 records
Compound notes
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