2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate

C16H24ClN3O5SSi — CID 22839744

About 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate

2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate (PubChem CID 22839744) has the molecular formula C16H24ClN3O5SSi and a molecular weight of 433.99 g/mol. Its IUPAC name is 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
• PubChem CID: 22839744
• Molecular Formula: C16H24ClN3O5SSi
• Molecular Weight: 433.99 g/mol
• Exact Mass: 433.09
• IUPAC Name: 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate
• SMILES: CC(C)(O/N=C(/C=O)c1csc(NC(=O)CCl)n1)C(=O)OCC[Si](C)(C)C
• InChI: InChI=1S/C16H24ClN3O5SSi/c1-16(2,14(23)24-6-7-27(3,4)5)25-20-11(9-21)12-10-26-15(18-12)19-13(22)8-17/h9-10H,6-8H2,1-5H3,(H,18,19,22)/b20-11-
• InChIKey: CJFMCPMUSJRZQP-JAIQZWGSSA-N
• XLogP: 2.90
• TPSA: 106.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.99
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

The IUPAC name of 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate (CID 22839744) is 2-trimethylsilylethyl 2-[(E)-[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-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate?

The canonical SMILES for 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate is CC(C)(O/N=C(/C=O)c1csc(NC(=O)CCl)n1)C(=O)OCC[Si](C)(C)C.

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

The InChIKey is CJFMCPMUSJRZQP-JAIQZWGSSA-N. The full InChI is InChI=1S/C16H24ClN3O5SSi/c1-16(2,14(23)24-6-7-27(3,4)5)25-20-11(9-21)12-10-26-15(18-12)19-13(22)8-17/h9-10H,6-8H2,1-5H3,(H,18,19,22)/b20-11-.

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

2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate has a molecular weight of 433.99 g/mol, XLogP of 2.90, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl 2-[(E)-[1-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-oxoethylidene]amino]oxy-2-methylpropanoate is sourced from PubChem (CID 22839744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).