2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine

C17H16F3N5OS — CID 59671536

IUPAC2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)11-6-14-15(23-7-11)24-16(27-14)25-5-4-22-8-12(25)10-26-13-2-1-3-21-9-13/h1-3,6-7,9,12,22H,4-5,8,10H2
InChIKeyAFOWPYQXAWFUNW-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.96
Rot. Bonds4

About 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine

2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 59671536) has the molecular formula C17H16F3N5OS and a molecular weight of 395.41 g/mol. Its IUPAC name is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID59671536
Molecular FormulaC17H16F3N5OS
Molecular Weight395.41 g/mol
Exact Mass395.10
IUPAC Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFC(F)(F)c1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H16F3N5OS/c18-17(19,20)11-6-14-15(23-7-11)24-16(27-14)25-5-4-22-8-12(25)10-26-13-2-1-3-21-9-13/h1-3,6-7,9,12,22H,4-5,8,10H2
InChIKeyAFOWPYQXAWFUNW-UHFFFAOYSA-N
XLogP2.96
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine (CID 59671536) is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine is FC(F)(F)c1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1.
What is the InChIKey of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is AFOWPYQXAWFUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS/c18-17(19,20)11-6-14-15(23-7-11)24-16(27-14)25-5-4-22-8-12(25)10-26-13-2-1-3-21-9-13/h1-3,6-7,9,12,22H,4-5,8,10H2.
What are the key properties of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine?
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 395.41 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 59671536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).