2-ethoxy-1,3-thiazole-4-carbaldehyde

C6H7NO2S — CID 83872893

IUPAC2-ethoxy-1,3-thiazole-4-carbaldehyde
SMILESCCOc1nc(C=O)cs1
InChIInChI=1S/C6H7NO2S/c1-2-9-6-7-5(3-8)4-10-6/h3-4H,2H2,1H3
InChIKeyBWEFVGANEULPKL-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.35
Rot. Bonds3

About 2-ethoxy-1,3-thiazole-4-carbaldehyde

2-ethoxy-1,3-thiazole-4-carbaldehyde (PubChem CID 83872893) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is 2-ethoxy-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-1,3-thiazole-4-carbaldehyde
PubChem CID83872893
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Name2-ethoxy-1,3-thiazole-4-carbaldehyde
SMILESCCOc1nc(C=O)cs1
InChIInChI=1S/C6H7NO2S/c1-2-9-6-7-5(3-8)4-10-6/h3-4H,2H2,1H3
InChIKeyBWEFVGANEULPKL-UHFFFAOYSA-N
XLogP1.35
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.35
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-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-ethoxy-1,3-thiazole-4-carbaldehyde (CID 83872893) is 2-ethoxy-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-ethoxy-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-ethoxy-1,3-thiazole-4-carbaldehyde is CCOc1nc(C=O)cs1.
What is the InChIKey of 2-ethoxy-1,3-thiazole-4-carbaldehyde?
The InChIKey is BWEFVGANEULPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c1-2-9-6-7-5(3-8)4-10-6/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-1,3-thiazole-4-carbaldehyde?
2-ethoxy-1,3-thiazole-4-carbaldehyde has a molecular weight of 157.19 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 83872893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).