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

C28H36N4O3SSi — CID 22242735

IUPACN-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C28H36N4O3SSi/c1-20(2)32(18-25(29)33)26(34)24-19-36-27(30-24)31-16-21(17-31)35-37(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3,(H2,29,33)
InChIKeyLVUQRAWFOIMUTQ-UHFFFAOYSA-N
MW536.77 g/mol
LogP3.24
Rot. Bonds9

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

N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 22242735) has the molecular formula C28H36N4O3SSi and a molecular weight of 536.77 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID22242735
Molecular FormulaC28H36N4O3SSi
Molecular Weight536.77 g/mol
Exact Mass536.23
IUPAC NameN-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC(N)=O)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1
InChIInChI=1S/C28H36N4O3SSi/c1-20(2)32(18-25(29)33)26(34)24-19-36-27(30-24)31-16-21(17-31)35-37(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3,(H2,29,33)
InChIKeyLVUQRAWFOIMUTQ-UHFFFAOYSA-N
XLogP3.24
TPSA88.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.77
LogP ≤ 53.24
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 N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 22242735) is N-(2-amino-2-oxoethyl)-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-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(CC(N)=O)C(=O)c1csc(N2CC(O[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)C2)n1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is LVUQRAWFOIMUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O3SSi/c1-20(2)32(18-25(29)33)26(34)24-19-36-27(30-24)31-16-21(17-31)35-37(28(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,19-21H,16-18H2,1-5H3,(H2,29,33).
What are the key properties of N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 536.77 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-[3-[tert-butyl(diphenyl)silyl]oxyazetidin-1-yl]-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 22242735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).