7-{[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Basic information
- CAS
883546-31-4- Standard SMILES
CCn1c(SCc2cc(=O)n3ccsc3n2)nnc1C1CC1- InChIKey
BBUOBJZATCZBPW-UHFFFAOYSA-N- Molecular formula
- C14H15N5OS2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.07180247
Names & identifiers
- Preferred name
- 7-{[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
- IUPAC
- 7-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Names & synonyms
883546-31-47-[[(5-Cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl]-5H-thiazolo[3,2-a]pyrimidin-5-one7-{[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-oneDTXSID701117380STK467048AKOS0033434067-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-oneST508331227-[(5-cyclopropyl-4-ethyl-1,2,4-triazol-3-ylthio)methyl]-4-hydro-1,3-thiazolin o[3,2-a]pyrimidin-5-one7-{[(5-cyclopropyl-4-ethyl-4H-1,2,4-triazol-3-yl)thio]methyl}-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Database identifiers
- CAS
883546-31-4- PubChem CID
- 8723911
- DTXSID
DTXSID701117380
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 572
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…