3-ethyl-1,2-thiazole-5-carbaldehyde

C6H7NOS — CID 82418071

IUPAC3-ethyl-1,2-thiazole-5-carbaldehyde
SMILESCCc1cc(C=O)sn1
InChIInChI=1S/C6H7NOS/c1-2-5-3-6(4-8)9-7-5/h3-4H,2H2,1H3
InChIKeyQEZPJEGGAWNDIM-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.52
Rot. Bonds2

About 3-ethyl-1,2-thiazole-5-carbaldehyde

3-ethyl-1,2-thiazole-5-carbaldehyde (PubChem CID 82418071) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 3-ethyl-1,2-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-ethyl-1,2-thiazole-5-carbaldehyde
PubChem CID82418071
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name3-ethyl-1,2-thiazole-5-carbaldehyde
SMILESCCc1cc(C=O)sn1
InChIInChI=1S/C6H7NOS/c1-2-5-3-6(4-8)9-7-5/h3-4H,2H2,1H3
InChIKeyQEZPJEGGAWNDIM-UHFFFAOYSA-N
XLogP1.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 51.52
H-Bond Donors ≤ 50
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 3-ethyl-1,2-thiazole-5-carbaldehyde?
The IUPAC name of 3-ethyl-1,2-thiazole-5-carbaldehyde (CID 82418071) is 3-ethyl-1,2-thiazole-5-carbaldehyde.
What is the SMILES notation for 3-ethyl-1,2-thiazole-5-carbaldehyde?
The canonical SMILES for 3-ethyl-1,2-thiazole-5-carbaldehyde is CCc1cc(C=O)sn1.
What is the InChIKey of 3-ethyl-1,2-thiazole-5-carbaldehyde?
The InChIKey is QEZPJEGGAWNDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-5-3-6(4-8)9-7-5/h3-4H,2H2,1H3.
What are the key properties of 3-ethyl-1,2-thiazole-5-carbaldehyde?
3-ethyl-1,2-thiazole-5-carbaldehyde has a molecular weight of 141.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,2-thiazole-5-carbaldehyde is sourced from PubChem (CID 82418071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).