ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate

C15H15F3N2O3S — CID 2740540

IUPACethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ncc(C(F)(F)F)cc2OCC)n1
InChIInChI=1S/C15H15F3N2O3S/c1-3-22-11-5-9(15(16,17)18)7-19-13(11)14-20-10(8-24-14)6-12(21)23-4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBBDCXKHKGCSLSY-UHFFFAOYSA-N
MW360.36 g/mol
LogP3.73
Rot. Bonds6

About ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate

ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate (PubChem CID 2740540) has the molecular formula C15H15F3N2O3S and a molecular weight of 360.36 g/mol. Its IUPAC name is ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate
PubChem CID2740540
Molecular FormulaC15H15F3N2O3S
Molecular Weight360.36 g/mol
Exact Mass360.08
IUPAC Nameethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate
SMILESCCOC(=O)Cc1csc(-c2ncc(C(F)(F)F)cc2OCC)n1
InChIInChI=1S/C15H15F3N2O3S/c1-3-22-11-5-9(15(16,17)18)7-19-13(11)14-20-10(8-24-14)6-12(21)23-4-2/h5,7-8H,3-4,6H2,1-2H3
InChIKeyBBDCXKHKGCSLSY-UHFFFAOYSA-N
XLogP3.73
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate?
The IUPAC name of ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate (CID 2740540) is ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate is CCOC(=O)Cc1csc(-c2ncc(C(F)(F)F)cc2OCC)n1.
What is the InChIKey of ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate?
The InChIKey is BBDCXKHKGCSLSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N2O3S/c1-3-22-11-5-9(15(16,17)18)7-19-13(11)14-20-10(8-24-14)6-12(21)23-4-2/h5,7-8H,3-4,6H2,1-2H3.
What are the key properties of ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate?
ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate has a molecular weight of 360.36 g/mol, XLogP of 3.73, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[3-ethoxy-5-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-4-yl]acetate is sourced from PubChem (CID 2740540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).