2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde

C5H5NO2S — CID 23459397

IUPAC2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
SMILESO=CC(O)c1ccsn1
InChIInChI=1S/C5H5NO2S/c7-3-5(8)4-1-2-9-6-4/h1-3,5,8H
InChIKeyKXGLRYPQDMFFOA-UHFFFAOYSA-N
MW143.17 g/mol
LogP0.38
Rot. Bonds2

About 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde

2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde (PubChem CID 23459397) has the molecular formula C5H5NO2S and a molecular weight of 143.17 g/mol. Its IUPAC name is 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
PubChem CID23459397
Molecular FormulaC5H5NO2S
Molecular Weight143.17 g/mol
Exact Mass143.00
IUPAC Name2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde
SMILESO=CC(O)c1ccsn1
InChIInChI=1S/C5H5NO2S/c7-3-5(8)4-1-2-9-6-4/h1-3,5,8H
InChIKeyKXGLRYPQDMFFOA-UHFFFAOYSA-N
XLogP0.38
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.17
LogP ≤ 50.38
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-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde?
The IUPAC name of 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde (CID 23459397) is 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde?
The canonical SMILES for 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde is O=CC(O)c1ccsn1.
What is the InChIKey of 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde?
The InChIKey is KXGLRYPQDMFFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2S/c7-3-5(8)4-1-2-9-6-4/h1-3,5,8H.
What are the key properties of 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde?
2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde has a molecular weight of 143.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-(1,2-thiazol-3-yl)acetaldehyde is sourced from PubChem (CID 23459397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).