N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
Basic information
- CAS
729583-32-8- Standard SMILES
Cc1cc(NC(=O)CSc2ncnc3sccc23)no1- InChIKey
XAWLEVJBXJERHU-UHFFFAOYSA-N- Molecular formula
- C12H10N4O2S2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.02451792
Names & identifiers
- Preferred name
- N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
- IUPAC
- N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide
Names & synonyms
N-(5-methyl-1,2-oxazol-3-yl)-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamideMLS001005312CHEMBL1429455DTXSID601322029HMS2672G08AKOS033738899729583-32-8SMR000348614Z20246454N-(5-Methyl-1,2-oxazol-3-yl)-2-[(thieno[2,3-d]pyrimidin-4-yl)sulfanyl]acetamide
Database identifiers
- CAS
729583-32-8- PubChem CID
- 2406271
- DTXSID
DTXSID601322029- ChEMBL
CHEMBL1429455
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 360
Experimental & physicochemical properties
Solubility19.3 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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