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

C27H33N3O3SSi — CID 22242740

IUPAC[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-18-30(19-21)26-28-24(20-34-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3
InChIKeyLVQIPJLHGUNJAN-UHFFFAOYSA-N
MW507.73 g/mol
LogP3.38
Rot. Bonds6

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

[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (PubChem CID 22242740) 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]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone
PubChem CID22242740
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]-morpholin-4-ylmethanone
SMILESCC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)cs2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-18-30(19-21)26-28-24(20-34-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3
InChIKeyLVQIPJLHGUNJAN-UHFFFAOYSA-N
XLogP3.38
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
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'}

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone (CID 22242740) is [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone is CC(C)(C)[Si](OC1CN(c2nc(C(=O)N3CCOCC3)cs2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
The InChIKey is LVQIPJLHGUNJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3SSi/c1-27(2,3)35(22-10-6-4-7-11-22,23-12-8-5-9-13-23)33-21-18-30(19-21)26-28-24(20-34-26)25(31)29-14-16-32-17-15-29/h4-13,20-21H,14-19H2,1-3H3.
What are the key properties of [2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone?
[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]-morpholin-4-ylmethanone has a molecular weight of 507.73 g/mol, XLogP of 3.38, 6 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]-morpholin-4-ylmethanone is sourced from PubChem (CID 22242740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).