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

C17H17ClF3N5OS — CID 66796973

IUPAC2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H16F3N5OS.ClH/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;1H
InChIKeyOGESSKSWRUJSAG-UHFFFAOYSA-N
MW431.87 g/mol
LogP3.38
Rot. Bonds4

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

2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (PubChem CID 66796973) has the molecular formula C17H17ClF3N5OS and a molecular weight of 431.87 g/mol. Its IUPAC name is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
PubChem CID66796973
Molecular FormulaC17H17ClF3N5OS
Molecular Weight431.87 g/mol
Exact Mass431.08
IUPAC Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.FC(F)(F)c1cnc2nc(N3CCNCC3COc3cccnc3)sc2c1
InChIInChI=1S/C17H16F3N5OS.ClH/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;1H
InChIKeyOGESSKSWRUJSAG-UHFFFAOYSA-N
XLogP3.38
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.87
LogP ≤ 53.38
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;hydrochloride?
The IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (CID 66796973) is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride is Cl.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;hydrochloride?
The InChIKey is OGESSKSWRUJSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5OS.ClH/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;1H.
What are the key properties of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-6-(trifluoromethyl)-[1,3]thiazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 431.87 g/mol, XLogP of 3.38, 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;hydrochloride is sourced from PubChem (CID 66796973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).