Basic information
- Standard SMILES
CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(C(C)(C)C#N)c4)ccc3C)nc2s1- InChIKey
CUKQBAZBBJDENC-UHFFFAOYSA-N- Molecular formula
- C25H23N7O2S
- Average molar mass
- 485.6 g/mol
- Monoisotopic mass
- 485.16339418
Names & identifiers
- Preferred name
- N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(1-cyano-1-methylethyl)benzamide
- IUPAC
- N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
Names & synonyms
SCHEMBL2854256CUKQBAZBBJDENC-UHFFFAOYSA-NN-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(1-cyano-1-methylethyl)benzamide
Database identifiers
- PubChem CID
- 59506945
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 161 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 830
Related reactions
2 records
Compound notes
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