2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde

C11H16N2OS — CID 115090212

IUPAC2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C11H16N2OS/c14-6-3-10-8-13-11(15-10)7-9-1-4-12-5-2-9/h6,8-9,12H,1-5,7H2
InChIKeyLBDUGOFVCZNWPI-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.43
Rot. Bonds4

About 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde

2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde (PubChem CID 115090212) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde.

Molecular Properties

Compound Name2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
PubChem CID115090212
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
SMILESO=CCc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C11H16N2OS/c14-6-3-10-8-13-11(15-10)7-9-1-4-12-5-2-9/h6,8-9,12H,1-5,7H2
InChIKeyLBDUGOFVCZNWPI-UHFFFAOYSA-N
XLogP1.43
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 115090240
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
2-[2-(oxan-3-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115091091
2-[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090061
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-thiazol-5-yl]acetaldehyde
CID 115090786
5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 115041812
5-(piperidin-4-ylmethyl)-1,2-oxazole-4-carbaldehyde
CID 115093438
2-[2-(thian-4-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089914
2-(2-piperidin-4-ylethyl)-1,3-thiazole-5-carboxylic acid;hydrochloride
CID 18969291
2-(piperidin-4-ylmethyl)thieno[3,2-d]pyrimidine
CID 141198481
2-[2-(thiolan-3-yl)-1,3-thiazol-5-yl]acetaldehyde
CID 115089786
[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
CID 134349841

Frequently Asked Questions

What is the IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The IUPAC name of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde (CID 115090212) is 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde.
What is the SMILES notation for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The canonical SMILES for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde is O=CCc1cnc(CC2CCNCC2)s1.
What is the InChIKey of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
The InChIKey is LBDUGOFVCZNWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c14-6-3-10-8-13-11(15-10)7-9-1-4-12-5-2-9/h6,8-9,12H,1-5,7H2.
What are the key properties of 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde?
2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde has a molecular weight of 224.33 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde is sourced from PubChem (CID 115090212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).