Basic information
- CAS
17766-79-9- Standard SMILES
COc1cc(C(=O)N2CCN(c3nccs3)CC2)cc(OC)c1OC- InChIKey
KGVWLYQGSGWMFD-UHFFFAOYSA-N- Molecular formula
- C17H21N3O4S
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.12527733
Names & identifiers
- Preferred name
- Ketone, 4-(2-thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl
- IUPAC
- [4-(1,3-thiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
- English name
- 1-(2-Thiazolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine
- Molecular formula
- C17H21N3O4S
- Molecular weight
- 363.43
Names & synonyms
1-(2-Thiazolyl)-4-(3,4,5-trimethoxybenzoyl)piperazine17766-79-9BRN 1602266KETONE, 4-(2-THIAZOLYL)PIPERAZINYL 3,4,5-TRIMETHOXYPHENYL4-(2-Thiazolyl)piperazinyl 3,4,5-trimethoxyphenyl ketonePiperazine, 1-(2-thiazolyl)-4-(3,4,5-trimethoxybenzoyl)-DTXSID70170365RefChem:350421DTXCID7092856[4-(1,3-thiazol-2-yl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanoneAKOS033762554AB00795274-01
Show more names
Methanone, [4-(2-thiazolyl)-1-piperazinyl](3,4,5-trimethoxyphenyl)-
Z211292018[4-(1,3-Thiazol-2-yl)piperazin-1-yl](3,4,5-trimethoxyphenyl)methanone
Database identifiers
- CAS
17766-79-9- PubChem CID
- 28762
- DTXSID
DTXSID70170365- Nikkaji
- J41.581B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Density
- 1.2512 · 1.2512 (rough estimate)
- refractive index
- 1.632 · 1.6320 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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