2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

C20H14F6N2O2S — CID 2872987

IUPAC2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H14F6N2O2S/c21-19(22,23)13-4-1-3-12(7-13)8-16-10-27-18(31-16)28-17(29)11-30-15-6-2-5-14(9-15)20(24,25)26/h1-7,9-10H,8,11H2,(H,27,28,29)
InChIKeySUBCNNDXGDGBOS-UHFFFAOYSA-N
MW460.40 g/mol
LogP5.79
Rot. Bonds6

About 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide

2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 2872987) has the molecular formula C20H14F6N2O2S and a molecular weight of 460.40 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID2872987
Molecular FormulaC20H14F6N2O2S
Molecular Weight460.40 g/mol
Exact Mass460.07
IUPAC Name2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESO=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H14F6N2O2S/c21-19(22,23)13-4-1-3-12(7-13)8-16-10-27-18(31-16)28-17(29)11-30-15-6-2-5-14(9-15)20(24,25)26/h1-7,9-10H,8,11H2,(H,27,28,29)
InChIKeySUBCNNDXGDGBOS-UHFFFAOYSA-N
XLogP5.79
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.40
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide (CID 2872987) is 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is SUBCNNDXGDGBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2S/c21-19(22,23)13-4-1-3-12(7-13)8-16-10-27-18(31-16)28-17(29)11-30-15-6-2-5-14(9-15)20(24,25)26/h1-7,9-10H,8,11H2,(H,27,28,29).
What are the key properties of 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide?
2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 460.40 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenoxy]-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2872987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).