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

C6H7NOS — CID 45083410

IUPAC4-ethyl-1,3-thiazole-2-carbaldehyde
SMILESCCc1csc(C=O)n1
InChIInChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
InChIKeyJDGBKOBUBCHSGF-UHFFFAOYSA-N
MW141.19 g/mol
LogP1.52
Rot. Bonds2

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

4-ethyl-1,3-thiazole-2-carbaldehyde (PubChem CID 45083410) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 4-ethyl-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name4-ethyl-1,3-thiazole-2-carbaldehyde
PubChem CID45083410
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name4-ethyl-1,3-thiazole-2-carbaldehyde
SMILESCCc1csc(C=O)n1
InChIInChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3
InChIKeyJDGBKOBUBCHSGF-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 4-ethyl-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 4-ethyl-1,3-thiazole-2-carbaldehyde (CID 45083410) is 4-ethyl-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 4-ethyl-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 4-ethyl-1,3-thiazole-2-carbaldehyde is CCc1csc(C=O)n1.
What is the InChIKey of 4-ethyl-1,3-thiazole-2-carbaldehyde?
The InChIKey is JDGBKOBUBCHSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c1-2-5-4-9-6(3-8)7-5/h3-4H,2H2,1H3.
What are the key properties of 4-ethyl-1,3-thiazole-2-carbaldehyde?
4-ethyl-1,3-thiazole-2-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 4-ethyl-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 45083410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).