Tert-butyl(5-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](methyl)amino}-2-fluorophenyl)carbamate
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Basic information
- Standard SMILES
CC(=O)Nc1nc2cnc(N(C)c3ccc(F)c(NC(=O)OC(C)(C)C)c3)nc2s1- InChIKey
VBSICOKEQOCNDM-UHFFFAOYSA-N- Molecular formula
- C19H21FN6O3S
- Average molar mass
- 432.5 g/mol
- Monoisotopic mass
- 432.13798789
Names & identifiers
- Preferred name
- Tert-butyl(5-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](methyl)amino}-2-fluorophenyl)carbamate
- IUPAC
- tert-butyl N-[5-[(2-acetamido-[1,3]thiazolo[5,4-d]pyrimidin-5-yl)-methylamino]-2-fluorophenyl]carbamate
Names & synonyms
VBSICOKEQOCNDM-UHFFFAOYSA-Ntert-butyl(5-{[2-(acetylamino)[1,3]thiazolo[5,4-d]pyrimidin-5-yl](methyl)amino}-2-fluorophenyl)carbamate
Database identifiers
- PubChem CID
- 91058342
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 636
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Related reactions
1 records
Compound notes
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