2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde

C7H9NO2S — CID 79617713

IUPAC2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(C)c1nc(C=O)cs1
InChIInChI=1S/C7H9NO2S/c1-5(10-2)7-8-6(3-9)4-11-7/h3-5H,1-2H3
InChIKeyZCRILQCHQUDECG-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.66
Rot. Bonds3

About 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde

2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 79617713) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde
PubChem CID79617713
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde
SMILESCOC(C)c1nc(C=O)cs1
InChIInChI=1S/C7H9NO2S/c1-5(10-2)7-8-6(3-9)4-11-7/h3-5H,1-2H3
InChIKeyZCRILQCHQUDECG-UHFFFAOYSA-N
XLogP1.66
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.66
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-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde (CID 79617713) is 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde is COC(C)c1nc(C=O)cs1.
What is the InChIKey of 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is ZCRILQCHQUDECG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5(10-2)7-8-6(3-9)4-11-7/h3-5H,1-2H3.
What are the key properties of 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde?
2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 171.22 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxyethyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 79617713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).