ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

C11H13F3N2O3S — CID 126482862

IUPACethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1
InChIInChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(16-3-5-18-6-4-16)20-10(15-7)11(12,13)14/h2-6H2,1H3
InChIKeyQZPLVHLTMJGPTH-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.18
Rot. Bonds3

About ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate

ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (PubChem CID 126482862) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
PubChem CID126482862
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Nameethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate
SMILESCCOC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1
InChIInChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(16-3-5-18-6-4-16)20-10(15-7)11(12,13)14/h2-6H2,1H3
InChIKeyQZPLVHLTMJGPTH-UHFFFAOYSA-N
XLogP2.18
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The IUPAC name of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate (CID 126482862) is ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate.
What is the SMILES notation for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The canonical SMILES for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is CCOC(=O)c1nc(C(F)(F)F)sc1N1CCOCC1.
What is the InChIKey of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
The InChIKey is QZPLVHLTMJGPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(16-3-5-18-6-4-16)20-10(15-7)11(12,13)14/h2-6H2,1H3.
What are the key properties of ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate?
ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate has a molecular weight of 310.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 126482862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).