3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide

C16H13F2N3O3S — CID 46236765

IUPAC3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
SMILESCCOc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C16H13F2N3O3S/c1-2-23-8-5-10-16(20-6-8)25-12(21-10)7-24-11-4-3-9(17)13(14(11)18)15(19)22/h3-6H,2,7H2,1H3,(H2,19,22)
InChIKeyFACBOZUYNYDGBL-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.05
Rot. Bonds6

About 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide

3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide (PubChem CID 46236765) has the molecular formula C16H13F2N3O3S and a molecular weight of 365.36 g/mol. Its IUPAC name is 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide.

Molecular Properties

Compound Name3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
PubChem CID46236765
Molecular FormulaC16H13F2N3O3S
Molecular Weight365.36 g/mol
Exact Mass365.06
IUPAC Name3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide
SMILESCCOc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1
InChIInChI=1S/C16H13F2N3O3S/c1-2-23-8-5-10-16(20-6-8)25-12(21-10)7-24-11-4-3-9(17)13(14(11)18)15(19)22/h3-6H,2,7H2,1H3,(H2,19,22)
InChIKeyFACBOZUYNYDGBL-UHFFFAOYSA-N
XLogP3.05
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The IUPAC name of 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide (CID 46236765) is 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide.
What is the SMILES notation for 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The canonical SMILES for 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide is CCOc1cnc2sc(COc3ccc(F)c(C(N)=O)c3F)nc2c1.
What is the InChIKey of 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
The InChIKey is FACBOZUYNYDGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O3S/c1-2-23-8-5-10-16(20-6-8)25-12(21-10)7-24-11-4-3-9(17)13(14(11)18)15(19)22/h3-6H,2,7H2,1H3,(H2,19,22).
What are the key properties of 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide?
3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide has a molecular weight of 365.36 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]-2,6-difluorobenzamide is sourced from PubChem (CID 46236765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).