2-(4-tert-butylphenyl)-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Basic information
- CAS
100987-06-2- Standard SMILES
CC(C)(C)c1ccc(-c2nn3c(=O)cc(O)nc3s2)cc1- InChIKey
SGYIKNSKBSGEDH-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.08849772
Names & identifiers
- Preferred name
- 2-(4-tert-butylphenyl)-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 2-(4-tert-butylphenyl)-7-hydroxy-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
2-(4-tert-butylphenyl)-7-hydroxy-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one100987-06-2SCHEMBL10370079SCHEMBL10370080SGYIKNSKBSGEDH-UHFFFAOYSA-NDTXSID6011282792-[4-(1,1-Dimethylethyl)phenyl]-7-hydroxy-5H-1,3,4-thiadiazolo[3,2-a]pyrimidin-5-one
Database identifiers
- CAS
100987-06-2- PubChem CID
- 135802450
- DTXSID
DTXSID601128279
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 552
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
3 records
Compound notes
Loading…