Basic information
- Standard SMILES
Cc1nc(-c2nccs2)ncc1C(=O)Nn1c(C2CC2)cc2cc(F)ccc21- InChIKey
LJBKKKPLNSTASY-UHFFFAOYSA-N- Molecular formula
- C20H16FN5OS
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.10595949
Names & identifiers
- Preferred name
- 4-Methyl-2-thiazol-2-yl-pyrimidine-5-carboxylic acid (2-cyclopropyl-5-fluoro-indol-1-yl)-amide
- IUPAC
- N-(2-cyclopropyl-5-fluoroindol-1-yl)-4-methyl-2-(1,3-thiazol-2-yl)pyrimidine-5-carboxamide
Names & synonyms
SCHEMBL12083993LJBKKKPLNSTASY-UHFFFAOYSA-N4-methyl-2-thiazol-2-yl-pyrimidine-5-carboxylic acid (2-cyclopropyl-5-fluoro-indol-1-yl)-amide
Database identifiers
- PubChem CID
- 59200041
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 593
Related reactions
2 records
Compound notes
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