2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde

C11H10N2OS — CID 91664700

IUPAC2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
SMILESCCc1cc(-c2nc(C=O)cs2)ccn1
InChIInChI=1S/C11H10N2OS/c1-2-9-5-8(3-4-12-9)11-13-10(6-14)7-15-11/h3-7H,2H2,1H3
InChIKeyQUDKZEFZXYCSBI-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.58
Rot. Bonds3

About 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde

2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 91664700) has the molecular formula C11H10N2OS and a molecular weight of 218.28 g/mol. Its IUPAC name is 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
PubChem CID91664700
Molecular FormulaC11H10N2OS
Molecular Weight218.28 g/mol
Exact Mass218.05
IUPAC Name2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde
SMILESCCc1cc(-c2nc(C=O)cs2)ccn1
InChIInChI=1S/C11H10N2OS/c1-2-9-5-8(3-4-12-9)11-13-10(6-14)7-15-11/h3-7H,2H2,1H3
InChIKeyQUDKZEFZXYCSBI-UHFFFAOYSA-N
XLogP2.58
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.58
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-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde (CID 91664700) is 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde is CCc1cc(-c2nc(C=O)cs2)ccn1.
What is the InChIKey of 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is QUDKZEFZXYCSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2OS/c1-2-9-5-8(3-4-12-9)11-13-10(6-14)7-15-11/h3-7H,2H2,1H3.
What are the key properties of 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde?
2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 218.28 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-4-pyridinyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 91664700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).