5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde

C10H9N3O2S — CID 163271022

IUPAC5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCCOc1cncc(-c2cnc(C=O)s2)n1
InChIInChI=1S/C10H9N3O2S/c1-2-15-9-5-11-3-7(13-9)8-4-12-10(6-14)16-8/h3-6H,2H2,1H3
InChIKeyNIHHJDCRVZYANX-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.81
Rot. Bonds4

About 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde

5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde (PubChem CID 163271022) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
PubChem CID163271022
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
SMILESCCOc1cncc(-c2cnc(C=O)s2)n1
InChIInChI=1S/C10H9N3O2S/c1-2-15-9-5-11-3-7(13-9)8-4-12-10(6-14)16-8/h3-6H,2H2,1H3
InChIKeyNIHHJDCRVZYANX-UHFFFAOYSA-N
XLogP1.81
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde?
The IUPAC name of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde (CID 163271022) is 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde?
The canonical SMILES for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde is CCOc1cncc(-c2cnc(C=O)s2)n1.
What is the InChIKey of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde?
The InChIKey is NIHHJDCRVZYANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-2-15-9-5-11-3-7(13-9)8-4-12-10(6-14)16-8/h3-6H,2H2,1H3.
What are the key properties of 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde?
5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde has a molecular weight of 235.27 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 163271022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).