2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde

C8H11NO2S — CID 64539844

IUPAC2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde
SMILESCCOC(C)c1nc(C=O)cs1
InChIInChI=1S/C8H11NO2S/c1-3-11-6(2)8-9-7(4-10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyPKQODKTWKGUBGB-UHFFFAOYSA-N
MW185.25 g/mol
LogP2.05
Rot. Bonds4

About 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde

2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 64539844) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID64539844
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC Name2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde
SMILESCCOC(C)c1nc(C=O)cs1
InChIInChI=1S/C8H11NO2S/c1-3-11-6(2)8-9-7(4-10)5-12-8/h4-6H,3H2,1-2H3
InChIKeyPKQODKTWKGUBGB-UHFFFAOYSA-N
XLogP2.05
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 52.05
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-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde (CID 64539844) is 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde is CCOC(C)c1nc(C=O)cs1.
What is the InChIKey of 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is PKQODKTWKGUBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-3-11-6(2)8-9-7(4-10)5-12-8/h4-6H,3H2,1-2H3.
What are the key properties of 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde?
2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 185.25 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 64539844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).