2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate

C21H30F3N5O3SSi — CID 164667807

About 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate

2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate (PubChem CID 164667807) has the molecular formula C21H30F3N5O3SSi and a molecular weight of 517.65 g/mol. Its IUPAC name is 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate.

Molecular Properties

• Compound Name: 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate
• PubChem CID: 164667807
• Molecular Formula: C21H30F3N5O3SSi
• Molecular Weight: 517.65 g/mol
• Exact Mass: 517.18
• IUPAC Name: 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate
• SMILES: Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)OCC[Si](C)(C)C)cs2)CC1
• InChI: InChI=1S/C21H30F3N5O3SSi/c1-14-11-16(21(22,23)24)27-29(14)12-18(30)28-7-5-15(6-8-28)19-25-17(13-33-19)26-20(31)32-9-10-34(2,3)4/h11,13,15H,5-10,12H2,1-4H3,(H,26,31)
• InChIKey: HNWXCWJWSDVKHF-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 89.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.65
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
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-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate?

The IUPAC name of 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate (CID 164667807) is 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate.

What is the SMILES notation for 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate?

The canonical SMILES for 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate is Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(NC(=O)OCC[Si](C)(C)C)cs2)CC1.

What is the InChIKey of 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate?

The InChIKey is HNWXCWJWSDVKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30F3N5O3SSi/c1-14-11-16(21(22,23)24)27-29(14)12-18(30)28-7-5-15(6-8-28)19-25-17(13-33-19)26-20(31)32-9-10-34(2,3)4/h11,13,15H,5-10,12H2,1-4H3,(H,26,31).

What are the key properties of 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate?

2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate has a molecular weight of 517.65 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-trimethylsilylethyl N-[2-[1-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperidin-4-yl]-1,3-thiazol-4-yl]carbamate is sourced from PubChem (CID 164667807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).