4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide

C20H17F3N2O2S — CID 143650771

IUPAC4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)sc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H17F3N2O2S/c1-2-16-17(11-27-15-8-6-12(7-9-15)18(24)26)28-19(25-16)13-4-3-5-14(10-13)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,26)
InChIKeyANGSDMIIKURZSE-UHFFFAOYSA-N
MW406.43 g/mol
LogP5.07
Rot. Bonds6

About 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide

4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide (PubChem CID 143650771) has the molecular formula C20H17F3N2O2S and a molecular weight of 406.43 g/mol. Its IUPAC name is 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide.

Molecular Properties

Compound Name4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide
PubChem CID143650771
Molecular FormulaC20H17F3N2O2S
Molecular Weight406.43 g/mol
Exact Mass406.10
IUPAC Name4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide
SMILESCCc1nc(-c2cccc(C(F)(F)F)c2)sc1COc1ccc(C(N)=O)cc1
InChIInChI=1S/C20H17F3N2O2S/c1-2-16-17(11-27-15-8-6-12(7-9-15)18(24)26)28-19(25-16)13-4-3-5-14(10-13)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,26)
InChIKeyANGSDMIIKURZSE-UHFFFAOYSA-N
XLogP5.07
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.43
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 7207738
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CID 7518131
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide?
The IUPAC name of 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide (CID 143650771) is 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide.
What is the SMILES notation for 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide?
The canonical SMILES for 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide is CCc1nc(-c2cccc(C(F)(F)F)c2)sc1COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide?
The InChIKey is ANGSDMIIKURZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2S/c1-2-16-17(11-27-15-8-6-12(7-9-15)18(24)26)28-19(25-16)13-4-3-5-14(10-13)20(21,22)23/h3-10H,2,11H2,1H3,(H2,24,26).
What are the key properties of 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide?
4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide has a molecular weight of 406.43 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-ethyl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methoxy]benzamide is sourced from PubChem (CID 143650771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).