N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

C42H51N3O3SSi2 — CID 22242731

IUPACN-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C42H51N3O3SSi2/c1-32(2)45(48-51(42(6,7)8,36-25-17-11-18-26-36)37-27-19-12-20-28-37)39(46)38-31-49-40(43-38)44-29-33(30-44)47-50(41(3,4)5,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h9-28,31-33H,29-30H2,1-8H3
InChIKeyHVSUJDVUPVOWHI-UHFFFAOYSA-N
MW734.13 g/mol
LogP7.25
Rot. Bonds11

About N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 22242731) has the molecular formula C42H51N3O3SSi2 and a molecular weight of 734.13 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID22242731
Molecular FormulaC42H51N3O3SSi2
Molecular Weight734.13 g/mol
Exact Mass733.32
IUPAC NameN-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C42H51N3O3SSi2/c1-32(2)45(48-51(42(6,7)8,36-25-17-11-18-26-36)37-27-19-12-20-28-37)39(46)38-31-49-40(43-38)44-29-33(30-44)47-50(41(3,4)5,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h9-28,31-33H,29-30H2,1-8H3
InChIKeyHVSUJDVUPVOWHI-UHFFFAOYSA-N
XLogP7.25
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.13
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 22242731) is N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is HVSUJDVUPVOWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H51N3O3SSi2/c1-32(2)45(48-51(42(6,7)8,36-25-17-11-18-26-36)37-27-19-12-20-28-37)39(46)38-31-49-40(43-38)44-29-33(30-44)47-50(41(3,4)5,34-21-13-9-14-22-34)35-23-15-10-16-24-35/h9-28,31-33H,29-30H2,1-8H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 734.13 g/mol, XLogP of 7.25, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]oxy-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).