2-(1,3-thiazolidin-2-yl)acetaldehyde

C5H9NOS — CID 21422875

IUPAC2-(1,3-thiazolidin-2-yl)acetaldehyde
SMILESO=CCC1NCCS1
InChIInChI=1S/C5H9NOS/c7-3-1-5-6-2-4-8-5/h3,5-6H,1-2,4H2
InChIKeyMCXFSBARFOQYJZ-UHFFFAOYSA-N
MW131.20 g/mol
LogP0.24
Rot. Bonds2

About 2-(1,3-thiazolidin-2-yl)acetaldehyde

2-(1,3-thiazolidin-2-yl)acetaldehyde (PubChem CID 21422875) has the molecular formula C5H9NOS and a molecular weight of 131.20 g/mol. Its IUPAC name is 2-(1,3-thiazolidin-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(1,3-thiazolidin-2-yl)acetaldehyde
PubChem CID21422875
Molecular FormulaC5H9NOS
Molecular Weight131.20 g/mol
Exact Mass131.04
IUPAC Name2-(1,3-thiazolidin-2-yl)acetaldehyde
SMILESO=CCC1NCCS1
InChIInChI=1S/C5H9NOS/c7-3-1-5-6-2-4-8-5/h3,5-6H,1-2,4H2
InChIKeyMCXFSBARFOQYJZ-UHFFFAOYSA-N
XLogP0.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.20
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,3-thiazolidin-2-yl)acetaldehyde?
The IUPAC name of 2-(1,3-thiazolidin-2-yl)acetaldehyde (CID 21422875) is 2-(1,3-thiazolidin-2-yl)acetaldehyde.
What is the SMILES notation for 2-(1,3-thiazolidin-2-yl)acetaldehyde?
The canonical SMILES for 2-(1,3-thiazolidin-2-yl)acetaldehyde is O=CCC1NCCS1.
What is the InChIKey of 2-(1,3-thiazolidin-2-yl)acetaldehyde?
The InChIKey is MCXFSBARFOQYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NOS/c7-3-1-5-6-2-4-8-5/h3,5-6H,1-2,4H2.
What are the key properties of 2-(1,3-thiazolidin-2-yl)acetaldehyde?
2-(1,3-thiazolidin-2-yl)acetaldehyde has a molecular weight of 131.20 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-thiazolidin-2-yl)acetaldehyde is sourced from PubChem (CID 21422875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).