2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde

C7H9NO2S — CID 131230427

IUPAC2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde
SMILESCCOC(C=O)c1cscn1
InChIInChI=1S/C7H9NO2S/c1-2-10-7(3-9)6-4-11-5-8-6/h3-5,7H,2H2,1H3
InChIKeyYOVDJCVMYABPFN-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.42
Rot. Bonds4

About 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde

2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde (PubChem CID 131230427) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde
PubChem CID131230427
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde
SMILESCCOC(C=O)c1cscn1
InChIInChI=1S/C7H9NO2S/c1-2-10-7(3-9)6-4-11-5-8-6/h3-5,7H,2H2,1H3
InChIKeyYOVDJCVMYABPFN-UHFFFAOYSA-N
XLogP1.42
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.42
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 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde?
The IUPAC name of 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde (CID 131230427) is 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde?
The canonical SMILES for 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde is CCOC(C=O)c1cscn1.
What is the InChIKey of 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde?
The InChIKey is YOVDJCVMYABPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-2-10-7(3-9)6-4-11-5-8-6/h3-5,7H,2H2,1H3.
What are the key properties of 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde?
2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde has a molecular weight of 171.22 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-(1,3-thiazol-4-yl)acetaldehyde is sourced from PubChem (CID 131230427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).