N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

C20H42N2O4S2Si2 — CID 167358931

About N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide

N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (PubChem CID 167358931) has the molecular formula C20H42N2O4S2Si2 and a molecular weight of 494.87 g/mol. Its IUPAC name is N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

Molecular Properties

• Compound Name: N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• PubChem CID: 167358931
• Molecular Formula: C20H42N2O4S2Si2
• Molecular Weight: 494.87 g/mol
• Exact Mass: 494.21
• IUPAC Name: N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide
• SMILES: CC(C)(O)c1nc(CCO[Si](C)(C)C(C)(C)C)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1
• InChI: InChI=1S/C20H42N2O4S2Si2/c1-18(2,3)29(9,10)22-28(24,25)16-15(21-17(27-16)20(7,8)23)13-14-26-30(11,12)19(4,5)6/h22-23H,13-14H2,1-12H3
• InChIKey: WMYGPNQPFDFISE-UHFFFAOYSA-N
• XLogP: 5.22
• TPSA: 88.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.87
LogP ≤ 5	5.22
H-Bond Donors ≤ 5	2
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 N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The IUPAC name of N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide (CID 167358931) is N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide.

What is the SMILES notation for N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The canonical SMILES for N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is CC(C)(O)c1nc(CCO[Si](C)(C)C(C)(C)C)c(S(=O)(=O)N[Si](C)(C)C(C)(C)C)s1.

What is the InChIKey of N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

The InChIKey is WMYGPNQPFDFISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2O4S2Si2/c1-18(2,3)29(9,10)22-28(24,25)16-15(21-17(27-16)20(7,8)23)13-14-26-30(11,12)19(4,5)6/h22-23H,13-14H2,1-12H3.

What are the key properties of N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide?

N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide has a molecular weight of 494.87 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[tert-butyl(dimethyl)silyl]-4-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-2-(2-hydroxypropan-2-yl)-1,3-thiazole-5-sulfonamide is sourced from PubChem (CID 167358931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).