2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde

C7H8N2O2S — CID 54289997

IUPAC2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESCCON=C(C=O)c1nccs1
InChIInChI=1S/C7H8N2O2S/c1-2-11-9-6(5-10)7-8-3-4-12-7/h3-5H,2H2,1H3
InChIKeyXJMZJHDQZSNSLF-UHFFFAOYSA-N
MW184.22 g/mol
LogP1.08
Rot. Bonds4

About 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde

2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde (PubChem CID 54289997) has the molecular formula C7H8N2O2S and a molecular weight of 184.22 g/mol. Its IUPAC name is 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde
PubChem CID54289997
Molecular FormulaC7H8N2O2S
Molecular Weight184.22 g/mol
Exact Mass184.03
IUPAC Name2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde
SMILESCCON=C(C=O)c1nccs1
InChIInChI=1S/C7H8N2O2S/c1-2-11-9-6(5-10)7-8-3-4-12-7/h3-5H,2H2,1H3
InChIKeyXJMZJHDQZSNSLF-UHFFFAOYSA-N
XLogP1.08
TPSA51.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde?
The IUPAC name of 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde (CID 54289997) is 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde.
What is the SMILES notation for 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde?
The canonical SMILES for 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde is CCON=C(C=O)c1nccs1.
What is the InChIKey of 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde?
The InChIKey is XJMZJHDQZSNSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2S/c1-2-11-9-6(5-10)7-8-3-4-12-7/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde?
2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde has a molecular weight of 184.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyimino-2-(1,3-thiazol-2-yl)acetaldehyde is sourced from PubChem (CID 54289997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).