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

C20H17F3N2O2S — CID 3349948

IUPAC2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H17F3N2O2S/c1-2-27-17-9-4-3-8-16(17)18(26)25-19-24-12-15(28-19)11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,25,26)
InChIKeyUZIQLJCFDKOYRD-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.40
Rot. Bonds6

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

2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (PubChem CID 3349948) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
PubChem CID3349948
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C20H17F3N2O2S/c1-2-27-17-9-4-3-8-16(17)18(26)25-19-24-12-15(28-19)11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,25,26)
InChIKeyUZIQLJCFDKOYRD-UHFFFAOYSA-N
XLogP5.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide (CID 3349948) is 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is CCOc1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
The InChIKey is UZIQLJCFDKOYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-2-27-17-9-4-3-8-16(17)18(26)25-19-24-12-15(28-19)11-13-6-5-7-14(10-13)20(21,22)23/h3-10,12H,2,11H2,1H3,(H,24,25,26).
What are the key properties of 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide?
2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide has a molecular weight of 406.43 g/mol, XLogP of 5.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide is sourced from PubChem (CID 3349948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).