2-(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
Basic information
- CAS
606108-66-1- Standard SMILES
Cc1sc2[nH]c(SCC(=O)NCc3cccs3)nc(=O)c2c1C- InChIKey
YAKLAYOXTRFHDB-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2S3
- Average molar mass
- 365.5 g/mol
Names & identifiers
- Preferred name
- 2-(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamide
- IUPAC
- 2-[(5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
- English name
- Acetamide, 2-[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-thienylmethyl)- (9CI)
- Molecular formula
- C15H15N3O2S3
- Molecular weight
- 365.49
Names & synonyms
606108-66-1SMR0000061432-(5,6-Dimethyl-4-oxo-3,4-dihydro-thieno[2,3-d]pyrimidin-2-ylsulfanyl)-N-thiophen-2-ylmethyl-acetamideASN 06153351MLS000073642MLS002537142CHEMBL1369732HMS2352P09AKOS000766361DB-284482SR-01000341224SR-01000341224-1
Show more names
Acetamide, 2-[(1,4-dihydro-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)thio]-N-(2-thienylmethyl)- (9CI)
ACETAMIDE, 2-[(1,4-DIHYDRO-5,6-DIMETHYL-4-OXOTHIENO[2,3-D]PYRIMIDIN-2-YL)THIO]-N-(2-THIENYLMETHYL)-
Database identifiers
- CAS
606108-66-1- ChEMBL
CHEMBL1369732
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Density
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- pka
- 13.09 · 13.09±0.46(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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