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

C15H13F3N2O4S — CID 84559825

IUPACethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-2-23-13(22)11-12(15(16,17)18)20-14(25-11)19-10(21)8-24-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,19,20,21)
InChIKeyUHLDDEVBSHJFGE-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.36
Rot. Bonds6

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

ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 84559825) has the molecular formula C15H13F3N2O4S and a molecular weight of 374.34 g/mol. Its IUPAC name is ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID84559825
Molecular FormulaC15H13F3N2O4S
Molecular Weight374.34 g/mol
Exact Mass374.05
IUPAC Nameethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O4S/c1-2-23-13(22)11-12(15(16,17)18)20-14(25-11)19-10(21)8-24-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,19,20,21)
InChIKeyUHLDDEVBSHJFGE-UHFFFAOYSA-N
XLogP3.36
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 84559825) is ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccccc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is UHLDDEVBSHJFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O4S/c1-2-23-13(22)11-12(15(16,17)18)20-14(25-11)19-10(21)8-24-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 374.34 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-phenoxyacetyl)amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 84559825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).