methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate

C25H31N3O3SSi — CID 22242856

IUPACmethyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C25H31N3O3SSi/c1-25(2,3)33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-20-16-28(17-20)23-27-19(18-32-23)15-26-24(29)30-4/h5-14,18,20H,15-17H2,1-4H3,(H,26,29)
InChIKeyCCDVDPADRGJQFV-UHFFFAOYSA-N
MW481.69 g/mol
LogP3.76
Rot. Bonds7

About methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate

methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate (PubChem CID 22242856) has the molecular formula C25H31N3O3SSi and a molecular weight of 481.69 g/mol. Its IUPAC name is methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate
PubChem CID22242856
Molecular FormulaC25H31N3O3SSi
Molecular Weight481.69 g/mol
Exact Mass481.19
IUPAC Namemethyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate
SMILESCOC(=O)NCc1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C25H31N3O3SSi/c1-25(2,3)33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-20-16-28(17-20)23-27-19(18-32-23)15-26-24(29)30-4/h5-14,18,20H,15-17H2,1-4H3,(H,26,29)
InChIKeyCCDVDPADRGJQFV-UHFFFAOYSA-N
XLogP3.76
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.69
LogP ≤ 53.76
H-Bond Donors ≤ 51
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 methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The IUPAC name of methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate (CID 22242856) is methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate.
What is the SMILES notation for methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The canonical SMILES for methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate is COC(=O)NCc1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1.
What is the InChIKey of methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate?
The InChIKey is CCDVDPADRGJQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3SSi/c1-25(2,3)33(21-11-7-5-8-12-21,22-13-9-6-10-14-22)31-20-16-28(17-20)23-27-19(18-32-23)15-26-24(29)30-4/h5-14,18,20H,15-17H2,1-4H3,(H,26,29).
What are the key properties of methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate?
methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate has a molecular weight of 481.69 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-1,3-thiazol-4-yl]methyl]carbamate is sourced from PubChem (CID 22242856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).