[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

C25H33NO5SSi — CID 66779242

About [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone

[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 66779242) has the molecular formula C25H33NO5SSi and a molecular weight of 487.69 g/mol. Its IUPAC name is [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

• Compound Name: [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
• PubChem CID: 66779242
• Molecular Formula: C25H33NO5SSi
• Molecular Weight: 487.69 g/mol
• Exact Mass: 487.18
• IUPAC Name: [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone
• SMILES: COc1cc(C(=O)C2CSC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)=N2)cc(OC)c1OC
• InChI: InChI=1S/C25H33NO5SSi/c1-25(2,3)33(7,8)31-18-11-9-16(10-12-18)24-26-19(15-32-24)22(27)17-13-20(28-4)23(30-6)21(14-17)29-5/h9-14,19H,15H2,1-8H3
• InChIKey: UBXLQERIIYTTCL-UHFFFAOYSA-N
• XLogP: 5.84
• TPSA: 66.35 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	487.69
LogP ≤ 5	5.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?

The IUPAC name of [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 66779242) is [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone.

What is the SMILES notation for [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?

The canonical SMILES for [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)C2CSC(c3ccc(O[Si](C)(C)C(C)(C)C)cc3)=N2)cc(OC)c1OC.

What is the InChIKey of [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?

The InChIKey is UBXLQERIIYTTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO5SSi/c1-25(2,3)33(7,8)31-18-11-9-16(10-12-18)24-26-19(15-32-24)22(27)17-13-20(28-4)23(30-6)21(14-17)29-5/h9-14,19H,15H2,1-8H3.

What are the key properties of [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone?

[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 487.69 g/mol, XLogP of 5.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]-4,5-dihydro-1,3-thiazol-4-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 66779242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).