[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone

C27H33N3O3SSi — CID 22242760

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2csc(N3CC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)C1
InChIInChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-11-7-5-8-12-22,23-13-9-6-10-14-23)33-21-17-30(18-21)26-28-24(19-34-26)25(31)29-15-20(16-29)32-4/h5-14,19-21H,15-18H2,1-4H3
InChIKeyXQCXZDLGXMNPEP-UHFFFAOYSA-N
MW507.73 g/mol
LogP3.38
Rot. Bonds7

About [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone (PubChem CID 22242760) has the molecular formula C27H33N3O3SSi and a molecular weight of 507.73 g/mol. Its IUPAC name is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone
PubChem CID22242760
Molecular FormulaC27H33N3O3SSi
Molecular Weight507.73 g/mol
Exact Mass507.20
IUPAC Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone
SMILESCOC1CN(C(=O)c2csc(N3CC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)C1
InChIInChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-11-7-5-8-12-22,23-13-9-6-10-14-23)33-21-17-30(18-21)26-28-24(19-34-26)25(31)29-15-20(16-29)32-4/h5-14,19-21H,15-18H2,1-4H3
InChIKeyXQCXZDLGXMNPEP-UHFFFAOYSA-N
XLogP3.38
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.73
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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]-(3-methoxyazetidin-1-yl)methanone 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]-(3-methoxyazetidin-1-yl)methanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone (CID 22242760) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone is COC1CN(C(=O)c2csc(N3CC(O[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)C3)n2)C1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone?
The InChIKey is XQCXZDLGXMNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-11-7-5-8-12-22,23-13-9-6-10-14-23)33-21-17-30(18-21)26-28-24(19-34-26)25(31)29-15-20(16-29)32-4/h5-14,19-21H,15-18H2,1-4H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-(3-methoxyazetidin-1-yl)methanone has a molecular weight of 507.73 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 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]-(3-methoxyazetidin-1-yl)methanone is sourced from PubChem (CID 22242760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).