5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde

C11H16N2OS — CID 83823250

IUPAC5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(CCN2CCCCC2)sn1
InChIInChI=1S/C11H16N2OS/c14-9-10-8-11(15-12-10)4-7-13-5-2-1-3-6-13/h8-9H,1-7H2
InChIKeyYXLDGGDIFVHMCK-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.98
Rot. Bonds4

About 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde

5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde (PubChem CID 83823250) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde.

Molecular Properties

Compound Name5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde
PubChem CID83823250
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde
SMILESO=Cc1cc(CCN2CCCCC2)sn1
InChIInChI=1S/C11H16N2OS/c14-9-10-8-11(15-12-10)4-7-13-5-2-1-3-6-13/h8-9H,1-7H2
InChIKeyYXLDGGDIFVHMCK-UHFFFAOYSA-N
XLogP1.98
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde?
The IUPAC name of 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde (CID 83823250) is 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde.
What is the SMILES notation for 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde?
The canonical SMILES for 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde is O=Cc1cc(CCN2CCCCC2)sn1.
What is the InChIKey of 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde?
The InChIKey is YXLDGGDIFVHMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-9-10-8-11(15-12-10)4-7-13-5-2-1-3-6-13/h8-9H,1-7H2.
What are the key properties of 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde?
5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde has a molecular weight of 224.33 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-piperidin-1-ylethyl)-1,2-thiazole-3-carbaldehyde is sourced from PubChem (CID 83823250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).