2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate

C25H42ClN5O6SSi2 — CID 154478352

About 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate

2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate (PubChem CID 154478352) has the molecular formula C25H42ClN5O6SSi2 and a molecular weight of 632.33 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
• PubChem CID: 154478352
• Molecular Formula: C25H42ClN5O6SSi2
• Molecular Weight: 632.33 g/mol
• Exact Mass: 631.21
• IUPAC Name: 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
• SMILES: CC(C)(ON=C(C(=O)NC1CN([Si](C)(C)C(C)(C)C)C1=O)c1csc(NC(=O)CCl)n1)C(=O)OCC[Si](C)(C)C
• InChI: InChI=1S/C25H42ClN5O6SSi2/c1-24(2,3)40(9,10)31-14-16(21(31)34)27-20(33)19(17-15-38-23(28-17)29-18(32)13-26)30-37-25(4,5)22(35)36-11-12-39(6,7)8/h15-16H,11-14H2,1-10H3,(H,27,33)(H,28,29,32)
• InChIKey: OUQAMOGBUKPAMJ-UHFFFAOYSA-N
• XLogP: 4.03
• TPSA: 139.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	632.33
LogP ≤ 5	4.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

The IUPAC name of 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate (CID 154478352) is 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate.

What is the SMILES notation for 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

The canonical SMILES for 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate is CC(C)(ON=C(C(=O)NC1CN([Si](C)(C)C(C)(C)C)C1=O)c1csc(NC(=O)CCl)n1)C(=O)OCC[Si](C)(C)C.

What is the InChIKey of 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

The InChIKey is OUQAMOGBUKPAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H42ClN5O6SSi2/c1-24(2,3)40(9,10)31-14-16(21(31)34)27-20(33)19(17-15-38-23(28-17)29-18(32)13-26)30-37-25(4,5)22(35)36-11-12-39(6,7)8/h15-16H,11-14H2,1-10H3,(H,27,33)(H,28,29,32).

What are the key properties of 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate has a molecular weight of 632.33 g/mol, XLogP of 4.03, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl 2-[[2-[[1-[tert-butyl(dimethyl)silyl]-2-oxoazetidin-3-yl]amino]-1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate is sourced from PubChem (CID 154478352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).