2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide

C7H4F6N2S2 — CID 135329154

IUPAC2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide
SMILESFC(F)(F)C(=S)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2S2/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16)
InChIKeyWMBRBOKQENECBH-UHFFFAOYSA-N
MW294.25 g/mol
LogP3.14
Rot. Bonds2

About 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide

2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide (PubChem CID 135329154) has the molecular formula C7H4F6N2S2 and a molecular weight of 294.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide
PubChem CID135329154
Molecular FormulaC7H4F6N2S2
Molecular Weight294.25 g/mol
Exact Mass293.97
IUPAC Name2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide
SMILESFC(F)(F)C(=S)NCc1cnc(C(F)(F)F)s1
InChIInChI=1S/C7H4F6N2S2/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16)
InChIKeyWMBRBOKQENECBH-UHFFFAOYSA-N
XLogP3.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide?
The IUPAC name of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide (CID 135329154) is 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide is FC(F)(F)C(=S)NCc1cnc(C(F)(F)F)s1.
What is the InChIKey of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide?
The InChIKey is WMBRBOKQENECBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2S2/c8-6(9,10)4(16)14-1-3-2-15-5(17-3)7(11,12)13/h2H,1H2,(H,14,16).
What are the key properties of 2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide?
2,2,2-trifluoro-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide has a molecular weight of 294.25 g/mol, XLogP of 3.14, 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-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]ethanethioamide is sourced from PubChem (CID 135329154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).