ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate

C18H24N4O5S2Si — CID 138857344

About ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate

ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate (PubChem CID 138857344) has the molecular formula C18H24N4O5S2Si and a molecular weight of 468.63 g/mol. Its IUPAC name is ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate
• PubChem CID: 138857344
• Molecular Formula: C18H24N4O5S2Si
• Molecular Weight: 468.63 g/mol
• Exact Mass: 468.10
• IUPAC Name: ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate
• SMILES: [H]/N=C(/C(=O)c1csc(CNC(=O)OCC[Si](C)(C)C)n1)c1nc(C(=O)OCC)cs1
• InChI: InChI=1S/C18H24N4O5S2Si/c1-5-26-17(24)12-10-29-16(22-12)14(19)15(23)11-9-28-13(21-11)8-20-18(25)27-6-7-30(2,3)4/h9-10,19H,5-8H2,1-4H3,(H,20,25)/b19-14-
• InChIKey: FNIXOOZIVGBDOT-RGEXLXHISA-N
• XLogP: 3.59
• TPSA: 131.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.63
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate (CID 138857344) is ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate is [H]/N=C(/C(=O)c1csc(CNC(=O)OCC[Si](C)(C)C)n1)c1nc(C(=O)OCC)cs1.

What is the InChIKey of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate?

The InChIKey is FNIXOOZIVGBDOT-RGEXLXHISA-N. The full InChI is InChI=1S/C18H24N4O5S2Si/c1-5-26-17(24)12-10-29-16(22-12)14(19)15(23)11-9-28-13(21-11)8-20-18(25)27-6-7-30(2,3)4/h9-10,19H,5-8H2,1-4H3,(H,20,25)/b19-14-.

What are the key properties of ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate?

ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate has a molecular weight of 468.63 g/mol, XLogP of 3.59, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethanimidoyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 138857344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).