ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

C16H15F3N2O5S — CID 139229525

IUPACethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O5S/c1-3-25-14(23)12-13(16(17,18)19)21-15(27-12)20-11(22)8-26-10-6-4-9(24-2)5-7-10/h4-7H,3,8H2,1-2H3,(H,20,21,22)
InChIKeyWQDWAAAPHIKDMS-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate

ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 139229525) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID139229525
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Nameethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C(F)(F)F
InChIInChI=1S/C16H15F3N2O5S/c1-3-25-14(23)12-13(16(17,18)19)21-15(27-12)20-11(22)8-26-10-6-4-9(24-2)5-7-10/h4-7H,3,8H2,1-2H3,(H,20,21,22)
InChIKeyWQDWAAAPHIKDMS-UHFFFAOYSA-N
XLogP3.36
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 139229525) is ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc(OC)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is WQDWAAAPHIKDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-3-25-14(23)12-13(16(17,18)19)21-15(27-12)20-11(22)8-26-10-6-4-9(24-2)5-7-10/h4-7H,3,8H2,1-2H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 404.37 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-methoxyphenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139229525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).