ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate

C11H9F3N2O3S2 — CID 15035824

IUPACethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate
SMILESCCOC(=O)CS(=O)c1nc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C11H9F3N2O3S2/c1-2-19-8(17)5-21(18)10-16-9-7(20-10)3-6(4-15-9)11(12,13)14/h3-4H,2,5H2,1H3
InChIKeyUNXUAPJETLWGHT-UHFFFAOYSA-N
MW338.33 g/mol
LogP2.38
Rot. Bonds4

About ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate

ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate (PubChem CID 15035824) has the molecular formula C11H9F3N2O3S2 and a molecular weight of 338.33 g/mol. Its IUPAC name is ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate
PubChem CID15035824
Molecular FormulaC11H9F3N2O3S2
Molecular Weight338.33 g/mol
Exact Mass338.00
IUPAC Nameethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate
SMILESCCOC(=O)CS(=O)c1nc2ncc(C(F)(F)F)cc2s1
InChIInChI=1S/C11H9F3N2O3S2/c1-2-19-8(17)5-21(18)10-16-9-7(20-10)3-6(4-15-9)11(12,13)14/h3-4H,2,5H2,1H3
InChIKeyUNXUAPJETLWGHT-UHFFFAOYSA-N
XLogP2.38
TPSA69.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate?
The IUPAC name of ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate (CID 15035824) is ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate.
What is the SMILES notation for ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate?
The canonical SMILES for ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate is CCOC(=O)CS(=O)c1nc2ncc(C(F)(F)F)cc2s1.
What is the InChIKey of ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate?
The InChIKey is UNXUAPJETLWGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O3S2/c1-2-19-8(17)5-21(18)10-16-9-7(20-10)3-6(4-15-9)11(12,13)14/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate?
ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate has a molecular weight of 338.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridin-2-yl]sulfinyl]acetate is sourced from PubChem (CID 15035824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).