3-Methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
Basic information
- CAS
773786-50-8- Standard SMILES
CC1=CSC2=NC(=O)CCN12- InChIKey
ACDCOQBAVJXDON-UHFFFAOYSA-N- Molecular formula
- C7H8N2OS
- Average molar mass
- 168.22 g/mol
- Monoisotopic mass
- 168.03573406
Names & identifiers
- Preferred name
- 3-Methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
- IUPAC
- 3-methyl-5,6-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-7-one
- English name
- 7H-Thiazolo[3,2-a]pyrimidin-7-one,5,6-dihydro-3-methyl-(9CI)
- Molecular formula
- C7H8N2OS
- Molecular weight
- 168.22
Names & synonyms
773786-50-8DTXSID50330248AG-H-094463-Methyl-5,6-dihydro-7H-[1,3]thiazolo[3,2-a]pyrimidin-7-one7H-Thiazolo[3,2-a]pyrimidin-7-one, 5,6-dihydro-3-methyl-7H-Thiazolo[3,2-a]pyrimidin-7-one,5,6-dihydro-3-methyl-(9CI)
Database identifiers
- CAS
773786-50-8- PubChem CID
- 428227
- DTXSID
DTXSID50330248
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 270
Physicochemical properties
- Boiling point
- 286.8 · 286.8±23.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- -2.1 · -2.10±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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