N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide

C26H43N3O5S2Si — CID 162500427

About N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide

N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide (PubChem CID 162500427) has the molecular formula C26H43N3O5S2Si and a molecular weight of 569.87 g/mol. Its IUPAC name is N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide.

Molecular Properties

• Compound Name: N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide
• PubChem CID: 162500427
• Molecular Formula: C26H43N3O5S2Si
• Molecular Weight: 569.87 g/mol
• Exact Mass: 569.24
• IUPAC Name: N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide
• SMILES: CC(C)c1cncc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C26H43N3O5S2Si/c1-16(2)19-13-27-14-20(17(3)4)18(19)12-22(30)29-36(32,33)23-21(28-24(35-23)26(8,9)31)15-34-37(10,11)25(5,6)7/h13-14,16-17,31H,12,15H2,1-11H3,(H,29,30)
• InChIKey: KQLXSBMWIBIWFJ-UHFFFAOYSA-N
• XLogP: 5.58
• TPSA: 118.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.87
LogP ≤ 5	5.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide?

The IUPAC name of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide (CID 162500427) is N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide.

What is the SMILES notation for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide?

The canonical SMILES for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide is CC(C)c1cncc(C(C)C)c1CC(=O)NS(=O)(=O)c1sc(C(C)(C)O)nc1CO[Si](C)(C)C(C)(C)C.

What is the InChIKey of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide?

The InChIKey is KQLXSBMWIBIWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N3O5S2Si/c1-16(2)19-13-27-14-20(17(3)4)18(19)12-22(30)29-36(32,33)23-21(28-24(35-23)26(8,9)31)15-34-37(10,11)25(5,6)7/h13-14,16-17,31H,12,15H2,1-11H3,(H,29,30).

What are the key properties of N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide?

N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide has a molecular weight of 569.87 g/mol, XLogP of 5.58, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]sulfonyl]-2-[3,5-di(propan-2-yl)-4-pyridinyl]acetamide is sourced from PubChem (CID 162500427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).