1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

C11H16N2OS — CID 82856360

IUPAC1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(Cc2nccs2)CCN2CCCC21
InChIInChI=1S/C11H16N2OS/c14-11(8-10-12-4-7-15-10)3-6-13-5-1-2-9(11)13/h4,7,9,14H,1-3,5-6,8H2
InChIKeySLWMVGVJGLYZNW-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.28
Rot. Bonds2

About 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol

1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (PubChem CID 82856360) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.

Molecular Properties

Compound Name1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
PubChem CID82856360
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
SMILESOC1(Cc2nccs2)CCN2CCCC21
InChIInChI=1S/C11H16N2OS/c14-11(8-10-12-4-7-15-10)3-6-13-5-1-2-9(11)13/h4,7,9,14H,1-3,5-6,8H2
InChIKeySLWMVGVJGLYZNW-UHFFFAOYSA-N
XLogP1.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The IUPAC name of 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol (CID 82856360) is 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol.
What is the SMILES notation for 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The canonical SMILES for 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is OC1(Cc2nccs2)CCN2CCCC21.
What is the InChIKey of 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
The InChIKey is SLWMVGVJGLYZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-11(8-10-12-4-7-15-10)3-6-13-5-1-2-9(11)13/h4,7,9,14H,1-3,5-6,8H2.
What are the key properties of 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol?
1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol has a molecular weight of 224.33 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol is sourced from PubChem (CID 82856360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).