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

C11H13F3N2O3S — CID 1490754

IUPACethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(11(12,13)14)15-10(20-7)16-3-5-18-6-4-16/h2-6H2,1H3
InChIKeyGVTUEPXWGDILLE-UHFFFAOYSA-N
MW310.30 g/mol
LogP2.18
Rot. Bonds3

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

ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (PubChem CID 1490754) has the molecular formula C11H13F3N2O3S and a molecular weight of 310.30 g/mol. Its IUPAC name is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
PubChem CID1490754
Molecular FormulaC11H13F3N2O3S
Molecular Weight310.30 g/mol
Exact Mass310.06
IUPAC Nameethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N2CCOCC2)nc1C(F)(F)F
InChIInChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(11(12,13)14)15-10(20-7)16-3-5-18-6-4-16/h2-6H2,1H3
InChIKeyGVTUEPXWGDILLE-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate (CID 1490754) is ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N2CCOCC2)nc1C(F)(F)F.
What is the InChIKey of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
The InChIKey is GVTUEPXWGDILLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O3S/c1-2-19-9(17)7-8(11(12,13)14)15-10(20-7)16-3-5-18-6-4-16/h2-6H2,1H3.
What are the key properties of ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate?
ethyl 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-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 2-morpholin-4-yl-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 1490754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).