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

C15H12F4N2O4S — CID 139229524

IUPACethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C15H12F4N2O4S/c1-2-24-13(23)11-12(15(17,18)19)21-14(26-11)20-10(22)7-25-9-5-3-8(16)4-6-9/h3-6H,2,7H2,1H3,(H,20,21,22)
InChIKeyGABCXUDPSNWZNP-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.50
Rot. Bonds6

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

ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 139229524) has the molecular formula C15H12F4N2O4S and a molecular weight of 392.33 g/mol. Its IUPAC name is ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID139229524
Molecular FormulaC15H12F4N2O4S
Molecular Weight392.33 g/mol
Exact Mass392.05
IUPAC Nameethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C(F)(F)F
InChIInChI=1S/C15H12F4N2O4S/c1-2-24-13(23)11-12(15(17,18)19)21-14(26-11)20-10(22)7-25-9-5-3-8(16)4-6-9/h3-6H,2,7H2,1H3,(H,20,21,22)
InChIKeyGABCXUDPSNWZNP-UHFFFAOYSA-N
XLogP3.50
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 139229524) is ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(NC(=O)COc2ccc(F)cc2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GABCXUDPSNWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2O4S/c1-2-24-13(23)11-12(15(17,18)19)21-14(26-11)20-10(22)7-25-9-5-3-8(16)4-6-9/h3-6H,2,7H2,1H3,(H,20,21,22).
What are the key properties of ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate has a molecular weight of 392.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-fluorophenoxy)acetyl]amino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 139229524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).