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

C16H18ClN5OS — CID 66801719

IUPAC2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cncc(OCC2CNCCN2c2nc3ncccc3s2)c1
InChIInChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
InChIKeyHOADISQPOJUPOI-UHFFFAOYSA-N
MW363.87 g/mol
LogP2.37
Rot. Bonds4

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

2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (PubChem CID 66801719) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.

Molecular Properties

Compound Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
PubChem CID66801719
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride
SMILESCl.c1cncc(OCC2CNCCN2c2nc3ncccc3s2)c1
InChIInChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H
InChIKeyHOADISQPOJUPOI-UHFFFAOYSA-N
XLogP2.37
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 52.37
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]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
The IUPAC name of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride (CID 66801719) is 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride.
What is the SMILES notation for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
The canonical SMILES for 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride is Cl.c1cncc(OCC2CNCCN2c2nc3ncccc3s2)c1.
What is the InChIKey of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
The InChIKey is HOADISQPOJUPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS.ClH/c1-3-13(10-17-5-1)22-11-12-9-18-7-8-21(12)16-20-15-14(23-16)4-2-6-19-15;/h1-6,10,12,18H,7-9,11H2;1H.
What are the key properties of 2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride?
2-[2-(pyridin-3-yloxymethyl)piperazin-1-yl]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride has a molecular weight of 363.87 g/mol, XLogP of 2.37, 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]-[1,3]thiazolo[4,5-b]pyridine;hydrochloride is sourced from PubChem (CID 66801719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).