2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide

C9H10F6N2OSSi — CID 15710709

IUPAC2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide
SMILESC[Si](C)(C)c1sc(NC(=O)C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H10F6N2OSSi/c1-20(2,3)5-4(8(10,11)12)16-7(19-5)17-6(18)9(13,14)15/h1-3H3,(H,16,17,18)
InChIKeyCMGCWISABIOISB-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.21
Rot. Bonds2

About 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide

2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide (PubChem CID 15710709) has the molecular formula C9H10F6N2OSSi and a molecular weight of 336.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide
PubChem CID15710709
Molecular FormulaC9H10F6N2OSSi
Molecular Weight336.33 g/mol
Exact Mass336.02
IUPAC Name2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide
SMILESC[Si](C)(C)c1sc(NC(=O)C(F)(F)F)nc1C(F)(F)F
InChIInChI=1S/C9H10F6N2OSSi/c1-20(2,3)5-4(8(10,11)12)16-7(19-5)17-6(18)9(13,14)15/h1-3H3,(H,16,17,18)
InChIKeyCMGCWISABIOISB-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide (CID 15710709) is 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide is C[Si](C)(C)c1sc(NC(=O)C(F)(F)F)nc1C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is CMGCWISABIOISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6N2OSSi/c1-20(2,3)5-4(8(10,11)12)16-7(19-5)17-6(18)9(13,14)15/h1-3H3,(H,16,17,18).
What are the key properties of 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide?
2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 336.33 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-(trifluoromethyl)-5-trimethylsilyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 15710709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).