2-[[5-(Furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
Basic information
- CAS
498550-80-4- Standard SMILES
Cn1c(SCC(=O)N2CCCCC2)nnc1-c1ccco1- InChIKey
NNOBJUYFEDXDQS-UHFFFAOYSA-N- Molecular formula
- C14H18N4O2S
- Average molar mass
- 306.39 g/mol
- Monoisotopic mass
- 306.115047
Names & identifiers
- Preferred name
- 2-[[5-(Furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
- IUPAC
- 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone
- English name
- 5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfide
- Molecular formula
- C14H18N4O2S
- Molecular weight
- 306.38332
Names & synonyms
2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-piperidin-1-ylethanone5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl 2-oxo-2-(1-piperidinyl)ethyl sulfideOprea1_157095AKOS000669894ST50438626AO-080/418163261-({[5-(2-furyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetyl)piperidine498550-80-4
Database identifiers
- CAS
498550-80-4- PubChem CID
- 860250
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 89.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…