N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide

C58H67N3O6SSi2 — CID 22242742

IUPACN-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(OC(C)(C)C)C2(Oc2ccccc2)Oc2ccccc2)n1
InChIInChI=1S/C58H67N3O6SSi2/c1-44(42-63-69(56(5,6)7,47-33-21-13-22-34-47)48-35-23-14-24-36-48)61(67-70(57(8,9)10,49-37-25-15-26-38-49)50-39-27-16-28-40-50)53(62)51-43-68-54(59-51)60-41-52(66-55(2,3)4)58(60,64-45-29-17-11-18-30-45)65-46-31-19-12-20-32-46/h11-40,43-44,52H,41-42H2,1-10H3
InChIKeyVMBALQNQPVPMQQ-UHFFFAOYSA-N
MW990.43 g/mol
LogP10.86
Rot. Bonds17

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

N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide (PubChem CID 22242742) has the molecular formula C58H67N3O6SSi2 and a molecular weight of 990.43 g/mol. Its IUPAC name is N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide
PubChem CID22242742
Molecular FormulaC58H67N3O6SSi2
Molecular Weight990.43 g/mol
Exact Mass989.43
IUPAC NameN-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide
SMILESCC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(OC(C)(C)C)C2(Oc2ccccc2)Oc2ccccc2)n1
InChIInChI=1S/C58H67N3O6SSi2/c1-44(42-63-69(56(5,6)7,47-33-21-13-22-34-47)48-35-23-14-24-36-48)61(67-70(57(8,9)10,49-37-25-15-26-38-49)50-39-27-16-28-40-50)53(62)51-43-68-54(59-51)60-41-52(66-55(2,3)4)58(60,64-45-29-17-11-18-30-45)65-46-31-19-12-20-32-46/h11-40,43-44,52H,41-42H2,1-10H3
InChIKeyVMBALQNQPVPMQQ-UHFFFAOYSA-N
XLogP10.86
TPSA82.59 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds17
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500990.43
LogP ≤ 510.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide (CID 22242742) is N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide is CC(CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)N(O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C(=O)c1csc(N2CC(OC(C)(C)C)C2(Oc2ccccc2)Oc2ccccc2)n1.
What is the InChIKey of N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is VMBALQNQPVPMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H67N3O6SSi2/c1-44(42-63-69(56(5,6)7,47-33-21-13-22-34-47)48-35-23-14-24-36-48)61(67-70(57(8,9)10,49-37-25-15-26-38-49)50-39-27-16-28-40-50)53(62)51-43-68-54(59-51)60-41-52(66-55(2,3)4)58(60,64-45-29-17-11-18-30-45)65-46-31-19-12-20-32-46/h11-40,43-44,52H,41-42H2,1-10H3.
What are the key properties of N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide?
N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 990.43 g/mol, XLogP of 10.86, 17 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[tert-butyl(diphenyl)silyl]oxy-N-[1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-2-[3-[(2-methylpropan-2-yl)oxy]-2,2-diphenoxyazetidin-1-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).