2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde

C12H15NO2S — CID 139672060

IUPAC2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
SMILESO=CCOc1ccc(CC2CNCS2)cc1
InChIInChI=1S/C12H15NO2S/c14-5-6-15-11-3-1-10(2-4-11)7-12-8-13-9-16-12/h1-5,12-13H,6-9H2
InChIKeyJICNHVYKNXYEGV-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.47
Rot. Bonds5

About 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde

2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde (PubChem CID 139672060) has the molecular formula C12H15NO2S and a molecular weight of 237.32 g/mol. Its IUPAC name is 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde.

Molecular Properties

Compound Name2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
PubChem CID139672060
Molecular FormulaC12H15NO2S
Molecular Weight237.32 g/mol
Exact Mass237.08
IUPAC Name2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde
SMILESO=CCOc1ccc(CC2CNCS2)cc1
InChIInChI=1S/C12H15NO2S/c14-5-6-15-11-3-1-10(2-4-11)7-12-8-13-9-16-12/h1-5,12-13H,6-9H2
InChIKeyJICNHVYKNXYEGV-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde?
The IUPAC name of 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde (CID 139672060) is 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde.
What is the SMILES notation for 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde?
The canonical SMILES for 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde is O=CCOc1ccc(CC2CNCS2)cc1.
What is the InChIKey of 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde?
The InChIKey is JICNHVYKNXYEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2S/c14-5-6-15-11-3-1-10(2-4-11)7-12-8-13-9-16-12/h1-5,12-13H,6-9H2.
What are the key properties of 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde?
2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde has a molecular weight of 237.32 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-thiazolidin-5-ylmethyl)phenoxy]acetaldehyde is sourced from PubChem (CID 139672060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).