2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide

C20H13F2N3O2S — CID 66620086

IUPAC2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3ccc(-c4ccccc4)nc3s2)c1F
InChIInChI=1S/C20H13F2N3O2S/c21-12-6-9-15(18(22)17(12)19(23)26)27-10-16-24-14-8-7-13(25-20(14)28-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,23,26)
InChIKeyZNINMINHHDXWIN-UHFFFAOYSA-N
MW397.41 g/mol
LogP4.31
Rot. Bonds5

About 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide

2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide (PubChem CID 66620086) has the molecular formula C20H13F2N3O2S and a molecular weight of 397.41 g/mol. Its IUPAC name is 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
PubChem CID66620086
Molecular FormulaC20H13F2N3O2S
Molecular Weight397.41 g/mol
Exact Mass397.07
IUPAC Name2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3ccc(-c4ccccc4)nc3s2)c1F
InChIInChI=1S/C20H13F2N3O2S/c21-12-6-9-15(18(22)17(12)19(23)26)27-10-16-24-14-8-7-13(25-20(14)28-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,23,26)
InChIKeyZNINMINHHDXWIN-UHFFFAOYSA-N
XLogP4.31
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide (CID 66620086) is 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3ccc(-c4ccccc4)nc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide?
The InChIKey is ZNINMINHHDXWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F2N3O2S/c21-12-6-9-15(18(22)17(12)19(23)26)27-10-16-24-14-8-7-13(25-20(14)28-16)11-4-2-1-3-5-11/h1-9H,10H2,(H2,23,26).
What are the key properties of 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide?
2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide has a molecular weight of 397.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[(5-phenyl-[1,3]thiazolo[5,4-b]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 66620086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).