2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride

C11H17ClN2OS — CID 23223053

IUPAC2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(OCC23CCCN2CCC3)n1
InChIInChI=1S/C11H16N2OS.ClH/c1-3-11(4-2-7-13(11)6-1)9-14-10-12-5-8-15-10;/h5,8H,1-4,6-7,9H2;1H
InChIKeyBEBCDLMMYMXUDV-UHFFFAOYSA-N
MW260.79 g/mol
LogP2.57
Rot. Bonds3

About 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride

2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride (PubChem CID 23223053) has the molecular formula C11H17ClN2OS and a molecular weight of 260.79 g/mol. Its IUPAC name is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride.

Molecular Properties

Compound Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride
PubChem CID23223053
Molecular FormulaC11H17ClN2OS
Molecular Weight260.79 g/mol
Exact Mass260.08
IUPAC Name2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride
SMILESCl.c1csc(OCC23CCCN2CCC3)n1
InChIInChI=1S/C11H16N2OS.ClH/c1-3-11(4-2-7-13(11)6-1)9-14-10-12-5-8-15-10;/h5,8H,1-4,6-7,9H2;1H
InChIKeyBEBCDLMMYMXUDV-UHFFFAOYSA-N
XLogP2.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride?
The IUPAC name of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride (CID 23223053) is 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride.
What is the SMILES notation for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride?
The canonical SMILES for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride is Cl.c1csc(OCC23CCCN2CCC3)n1.
What is the InChIKey of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride?
The InChIKey is BEBCDLMMYMXUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS.ClH/c1-3-11(4-2-7-13(11)6-1)9-14-10-12-5-8-15-10;/h5,8H,1-4,6-7,9H2;1H.
What are the key properties of 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride?
2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride has a molecular weight of 260.79 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-1,3-thiazole;hydrochloride is sourced from PubChem (CID 23223053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).