1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione

C27H31N3O3SSi — CID 22242718

IUPAC1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](OC1CN(c2nc(CN3C(=O)CCC3=O)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-17-29(18-21)26-28-20(19-34-26)16-30-24(31)14-15-25(30)32/h4-13,19,21H,14-18H2,1-3H3
InChIKeyDWRSZTKEPLZXGD-UHFFFAOYSA-N
MW505.72 g/mol
LogP3.56
Rot. Bonds7

About 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione

1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (PubChem CID 22242718) has the molecular formula C27H31N3O3SSi and a molecular weight of 505.72 g/mol. Its IUPAC name is 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
PubChem CID22242718
Molecular FormulaC27H31N3O3SSi
Molecular Weight505.72 g/mol
Exact Mass505.19
IUPAC Name1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)[Si](OC1CN(c2nc(CN3C(=O)CCC3=O)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H31N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-17-29(18-21)26-28-20(19-34-26)16-30-24(31)14-15-25(30)32/h4-13,19,21H,14-18H2,1-3H3
InChIKeyDWRSZTKEPLZXGD-UHFFFAOYSA-N
XLogP3.56
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.72
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione (CID 22242718) is 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione is CC(C)(C)[Si](OC1CN(c2nc(CN3C(=O)CCC3=O)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
The InChIKey is DWRSZTKEPLZXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-17-29(18-21)26-28-20(19-34-26)16-30-24(31)14-15-25(30)32/h4-13,19,21H,14-18H2,1-3H3.
What are the key properties of 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione?
1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione has a molecular weight of 505.72 g/mol, XLogP of 3.56, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 22242718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).