About N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide
N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide (PubChem CID 22243019) has the molecular formula C26H32N6O2SSi
and a molecular weight of 520.74 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide.
Molecular Properties
| Compound Name | N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide |
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| PubChem CID | 22243019 |
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| Molecular Formula | C26H32N6O2SSi |
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| Molecular Weight | 520.74 g/mol |
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| Exact Mass | 520.21 |
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| IUPAC Name | N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide |
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| SMILES | CN(CCN=[N+]=[N-])C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1 |
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| InChI | InChI=1S/C26H32N6O2SSi/c1-26(2,3)36(21-11-7-5-8-12-21,22-13-9-6-10-14-22)34-20-17-32(18-20)25-29-23(19-35-25)24(33)31(4)16-15-28-30-27/h5-14,19-20H,15-18H2,1-4H3 |
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| InChIKey | YOTDHFRAPTXUPC-UHFFFAOYSA-N |
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| XLogP | 4.29 |
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| TPSA | 94.43 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 520.74 |
| LogP ≤ 5 | 4.29 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide (CID 22243019) is N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide is CN(CCN=[N+]=[N-])C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1.
What is the InChIKey of N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide?
The InChIKey is YOTDHFRAPTXUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2SSi/c1-26(2,3)36(21-11-7-5-8-12-21,22-13-9-6-10-14-22)34-20-17-32(18-20)25-29-23(19-35-25)24(33)31(4)16-15-28-30-27/h5-14,19-20H,15-18H2,1-4H3.
What are the key properties of N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide?
N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide has a molecular weight of 520.74 g/mol, XLogP of 4.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-methyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22243019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).