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

C15H8F5N3O2S — CID 90135655

IUPAC2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)
InChIKeyZVALMTAWSBJQSN-UHFFFAOYSA-N
MW389.31 g/mol
LogP3.67
Rot. Bonds4

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

2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (PubChem CID 90135655) has the molecular formula C15H8F5N3O2S and a molecular weight of 389.31 g/mol. Its IUPAC name is 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.

Molecular Properties

Compound Name2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
PubChem CID90135655
Molecular FormulaC15H8F5N3O2S
Molecular Weight389.31 g/mol
Exact Mass389.03
IUPAC Name2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide
SMILESNC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F
InChIInChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24)
InChIKeyZVALMTAWSBJQSN-UHFFFAOYSA-N
XLogP3.67
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 53.67
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-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The IUPAC name of 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide (CID 90135655) is 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide.
What is the SMILES notation for 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The canonical SMILES for 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is NC(=O)c1c(F)ccc(OCc2nc3cc(C(F)(F)F)cnc3s2)c1F.
What is the InChIKey of 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
The InChIKey is ZVALMTAWSBJQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O2S/c16-7-1-2-9(12(17)11(7)13(21)24)25-5-10-23-8-3-6(15(18,19)20)4-22-14(8)26-10/h1-4H,5H2,(H2,21,24).
What are the key properties of 2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide?
2,6-difluoro-3-[[6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide has a molecular weight of 389.31 g/mol, XLogP of 3.67, 4 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-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]methoxy]benzamide is sourced from PubChem (CID 90135655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).