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

C23H34N4O7S2Si — CID 138857352

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

ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (PubChem CID 138857352) has the molecular formula C23H34N4O7S2Si and a molecular weight of 570.77 g/mol. Its IUPAC name is ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
• PubChem CID: 138857352
• Molecular Formula: C23H34N4O7S2Si
• Molecular Weight: 570.77 g/mol
• Exact Mass: 570.16
• IUPAC Name: ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1csc(C(NC(=O)OC(C)(C)C)C(=O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1
• InChI: InChI=1S/C23H34N4O7S2Si/c1-8-32-20(29)15-13-36-19(26-15)17(27-22(31)34-23(2,3)4)18(28)14-12-35-16(25-14)11-24-21(30)33-9-10-37(5,6)7/h12-13,17H,8-11H2,1-7H3,(H,24,30)(H,27,31)
• InChIKey: PLDWKTQNTHRNKQ-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 145.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.77
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate (CID 138857352) is ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate.

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

The canonical SMILES for ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is CCOC(=O)c1csc(C(NC(=O)OC(C)(C)C)C(=O)c2csc(CNC(=O)OCC[Si](C)(C)C)n2)n1.

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

The InChIKey is PLDWKTQNTHRNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O7S2Si/c1-8-32-20(29)15-13-36-19(26-15)17(27-22(31)34-23(2,3)4)18(28)14-12-35-16(25-14)11-24-21(30)33-9-10-37(5,6)7/h12-13,17H,8-11H2,1-7H3,(H,24,30)(H,27,31).

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

ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate has a molecular weight of 570.77 g/mol, XLogP of 4.79, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-2-[2-[(2-trimethylsilylethoxycarbonylamino)methyl]-1,3-thiazol-4-yl]ethyl]-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 138857352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).