2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Basic information
- CAS
898445-90-4- Standard SMILES
Cc1cnc(=O)[nH]c1SCC(=O)Nc1nccs1- InChIKey
XXETZTPGCFVUSH-UHFFFAOYSA-N- Molecular formula
- C10H10N4O2S2
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.02451792
Names & identifiers
- Preferred name
- 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
- IUPAC
- 2-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Names & synonyms
898445-90-42-[(5-methyl-2-oxo-1H-pyrimidin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide2-[(5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamideF2585-0319MLS001234343CHEMBL1735334DTXSID801329021HMS3014J08SMSSF-0312507AKOS024662227SMR000811506AB00679944-01
Show more names
SR-01000024030SR-01000024030-1N-(1,3-thiazol-2-yl)(2-hydroxy-5-methyl-4-pyrimidinylthio)acetamide2-((5-methyl-2-oxo-1,2-dihydropyrimidin-4-yl)thio)-N-(thiazol-2-yl)acetamide2-[(5-Methyl-2-oxo-2,3-dihydropyrimidin-4-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Database identifiers
- CAS
898445-90-4- PubChem CID
- 7184028
- DTXSID
DTXSID801329021- ChEMBL
CHEMBL1735334
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 422
Experimental & physicochemical properties
Solubility31 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…