2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride

C9H15ClN2OS — CID 71636928

IUPAC2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(OCC2CCNCC2)n1
InChIInChI=1S/C9H14N2OS.ClH/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9;/h5-6,8,10H,1-4,7H2;1H
InChIKeyYWYPALTUFQOMRA-UHFFFAOYSA-N
MW234.75 g/mol
LogP1.94
Rot. Bonds3

About 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride

2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride (PubChem CID 71636928) has the molecular formula C9H15ClN2OS and a molecular weight of 234.75 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride
PubChem CID71636928
Molecular FormulaC9H15ClN2OS
Molecular Weight234.75 g/mol
Exact Mass234.06
IUPAC Name2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(OCC2CCNCC2)n1
InChIInChI=1S/C9H14N2OS.ClH/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9;/h5-6,8,10H,1-4,7H2;1H
InChIKeyYWYPALTUFQOMRA-UHFFFAOYSA-N
XLogP1.94
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.75
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride (CID 71636928) is 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride is Cl.c1csc(OCC2CCNCC2)n1.
What is the InChIKey of 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride?
The InChIKey is YWYPALTUFQOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS.ClH/c1-3-10-4-2-8(1)7-12-9-11-5-6-13-9;/h5-6,8,10H,1-4,7H2;1H.
What are the key properties of 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride?
2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride has a molecular weight of 234.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethoxy)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 71636928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).