Basic information
- CAS
686770-62-7- Standard SMILES
O=C(CSc1nc2c(c(=O)n1-c1ccccc1)SCC2)Nc1nccs1- InChIKey
QAFGBFIEKQQDEO-UHFFFAOYSA-N- Molecular formula
- C17H14N4O2S3
- Average molar mass
- 402.5 g/mol
- Monoisotopic mass
- 402.02788922
Names & identifiers
- Preferred name
- 2-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide
- IUPAC
- 2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
Names & synonyms
686770-62-72-((4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)thio)-N-(thiazol-2-yl)acetamide2-[(3,4,6,7-Tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-N-2-thiazolylacetamideCHEMBL1257113DTXSID201118933HMS1650A11AKOS0245847442-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamideEU-0055704AB00668696-01F0579-00382-({4-oxo-3-phenyl-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N-(1,3-thiazol-2-yl)acetamide
Show more names
2-[(4-oxo-3-phenyl-3,4,6,7-tetrahydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamideAcetamide, 2-[(3,4,6,7-tetrahydro-4-oxo-3-phenylthieno[3,2-d]pyrimidin-2-yl)thio]-N-2-thiazolyl-
Database identifiers
- CAS
686770-62-7- PubChem CID
- 2155129
- DTXSID
DTXSID201118933
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 646
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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