2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide

C7H2F6N2O2S — CID 87851307

IUPAC2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(C(=O)C(F)(F)F)c1nccs1)C(F)(F)F
InChIInChI=1S/C7H2F6N2O2S/c8-6(9,10)3(16)15(4(17)7(11,12)13)5-14-1-2-18-5/h1-2H
InChIKeyGUTALRDILSHODL-UHFFFAOYSA-N
MW292.16 g/mol
LogP2.13
Rot. Bonds1

About 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide

2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide (PubChem CID 87851307) has the molecular formula C7H2F6N2O2S and a molecular weight of 292.16 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide
PubChem CID87851307
Molecular FormulaC7H2F6N2O2S
Molecular Weight292.16 g/mol
Exact Mass291.97
IUPAC Name2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide
SMILESO=C(N(C(=O)C(F)(F)F)c1nccs1)C(F)(F)F
InChIInChI=1S/C7H2F6N2O2S/c8-6(9,10)3(16)15(4(17)7(11,12)13)5-14-1-2-18-5/h1-2H
InChIKeyGUTALRDILSHODL-UHFFFAOYSA-N
XLogP2.13
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide (CID 87851307) is 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide is O=C(N(C(=O)C(F)(F)F)c1nccs1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide?
The InChIKey is GUTALRDILSHODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2F6N2O2S/c8-6(9,10)3(16)15(4(17)7(11,12)13)5-14-1-2-18-5/h1-2H.
What are the key properties of 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide?
2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide has a molecular weight of 292.16 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1,3-thiazol-2-yl)-N-(2,2,2-trifluoroacetyl)acetamide is sourced from PubChem (CID 87851307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).