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

C16H8F7N3O2S — CID 90154016

IUPAC2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C16H8F7N3O2S/c17-7-1-2-9(12(18)11(7)13(24)27)28-5-10-26-8-3-6(4-25-14(8)29-10)15(19,20)16(21,22)23/h1-4H,5H2,(H2,24,27)
InChIKeyUYIRZIIAPDOEHE-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.30
Rot. Bonds5

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

2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (PubChem CID 90154016) has the molecular formula C16H8F7N3O2S and a molecular weight of 439.31 g/mol. Its IUPAC name is 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
PubChem CID90154016
Molecular FormulaC16H8F7N3O2S
Molecular Weight439.31 g/mol
Exact Mass439.02
IUPAC Name2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C16H8F7N3O2S/c17-7-1-2-9(12(18)11(7)13(24)27)28-5-10-26-8-3-6(4-25-14(8)29-10)15(19,20)16(21,22)23/h1-4H,5H2,(H2,24,27)
InChIKeyUYIRZIIAPDOEHE-UHFFFAOYSA-N
XLogP4.30
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (CID 90154016) is 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)C(F)(F)F)cnc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The InChIKey is UYIRZIIAPDOEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F7N3O2S/c17-7-1-2-9(12(18)11(7)13(24)27)28-5-10-26-8-3-6(4-25-14(8)29-10)15(19,20)16(21,22)23/h1-4H,5H2,(H2,24,27).
What are the key properties of 2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide has a molecular weight of 439.31 g/mol, XLogP of 4.30, 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-[[6-(1,1,2,2,2-pentafluoroethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is sourced from PubChem (CID 90154016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).