N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(2-cyano-2-methylpropyl)benzamide

HCID 59507002
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Basic information

Standard SMILES
CC(=O)Nc1nc2cnc(Nc3cc(NC(=O)c4cccc(CC(C)(C)C#N)c4)ccc3C)nc2s1
InChIKey
INZKYFAYQUYDOC-UHFFFAOYSA-N
Molecular formula
C26H25N7O2S
Average molar mass
499.6 g/mol
Monoisotopic mass
499.17904424

Names & identifiers

Preferred name
N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(2-cyano-2-methylpropyl)benzamide
IUPAC
N-[3-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)amino]-4-methylphenyl]-3-(2-cyano-2-methylpropyl)benzamide

Names & synonyms

CHEMBL2204527SCHEMBL2851583INZKYFAYQUYDOC-UHFFFAOYSA-NBDBM50401291N-(3-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl]amino}-4-methylphenyl)-3-(2-cyano-2-methylpropyl)benzamide

Database identifiers

PubChem CID
59507002
ChEMBL
CHEMBL2204527

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
161 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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