ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate

C28H38N2O3SSi — CID 155592823

About ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate

ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate (PubChem CID 155592823) has the molecular formula C28H38N2O3SSi and a molecular weight of 510.78 g/mol. Its IUPAC name is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
• PubChem CID: 155592823
• Molecular Formula: C28H38N2O3SSi
• Molecular Weight: 510.78 g/mol
• Exact Mass: 510.24
• IUPAC Name: ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate
• SMILES: CCOC(=O)c1nc(NC)sc1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C28H38N2O3SSi/c1-8-32-25(31)24-23(34-26(29-7)30-24)19-28(5,6)20-33-35(27(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18H,8,19-20H2,1-7H3,(H,29,30)
• InChIKey: WNJHAXDCZWATOY-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 60.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	510.78
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?

The IUPAC name of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate (CID 155592823) is ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate.

What is the SMILES notation for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?

The canonical SMILES for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(NC)sc1CC(C)(C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?

The InChIKey is WNJHAXDCZWATOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N2O3SSi/c1-8-32-25(31)24-23(34-26(29-7)30-24)19-28(5,6)20-33-35(27(2,3)4,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18H,8,19-20H2,1-7H3,(H,29,30).

What are the key properties of ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate?

ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate has a molecular weight of 510.78 g/mol, XLogP of 5.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[3-[tert-butyl(diphenyl)silyl]oxy-2,2-dimethylpropyl]-2-(methylamino)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 155592823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).