About [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (PubChem CID 22243029) has the molecular formula C28H35N3O2SSi
and a molecular weight of 505.76 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
Molecular Properties
| Compound Name | [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone |
|---|
| PubChem CID | 22243029 |
|---|
| Molecular Formula | C28H35N3O2SSi |
|---|
| Molecular Weight | 505.76 g/mol |
|---|
| Exact Mass | 505.22 |
|---|
| IUPAC Name | [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone |
|---|
| SMILES | CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCCC3)cs2)C1)(c1ccccc1)c1ccccc1 |
|---|
| InChI | InChI=1S/C28H35N3O2SSi/c1-28(2,3)35(23-13-7-4-8-14-23,24-15-9-5-10-16-24)33-22-19-31(20-22)27-29-25(21-34-27)26(32)30-17-11-6-12-18-30/h4-5,7-10,13-16,21-22H,6,11-12,17-20H2,1-3H3 |
|---|
| InChIKey | NTRGTBNYXNHYLQ-UHFFFAOYSA-N |
|---|
| XLogP | 4.53 |
|---|
| TPSA | 45.67 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 505.76 |
| LogP ≤ 5 | 4.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
Analyze [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone (CID 22243029) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCCCC3)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
The InChIKey is NTRGTBNYXNHYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O2SSi/c1-28(2,3)35(23-13-7-4-8-14-23,24-15-9-5-10-16-24)33-22-19-31(20-22)27-29-25(21-34-27)26(32)30-17-11-6-12-18-30/h4-5,7-10,13-16,21-22H,6,11-12,17-20H2,1-3H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone has a molecular weight of 505.76 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 22243029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).