2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde

C7H9NO2S — CID 173233497

IUPAC2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde
SMILESCOC(C=O)c1ncsc1C
InChIInChI=1S/C7H9NO2S/c1-5-7(8-4-11-5)6(3-9)10-2/h3-4,6H,1-2H3
InChIKeyOUDLYSBREWSBKD-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.34
Rot. Bonds3

About 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde

2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde (PubChem CID 173233497) has the molecular formula C7H9NO2S and a molecular weight of 171.22 g/mol. Its IUPAC name is 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde.

Molecular Properties

Compound Name2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde
PubChem CID173233497
Molecular FormulaC7H9NO2S
Molecular Weight171.22 g/mol
Exact Mass171.04
IUPAC Name2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde
SMILESCOC(C=O)c1ncsc1C
InChIInChI=1S/C7H9NO2S/c1-5-7(8-4-11-5)6(3-9)10-2/h3-4,6H,1-2H3
InChIKeyOUDLYSBREWSBKD-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
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-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde?
The IUPAC name of 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde (CID 173233497) is 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde.
What is the SMILES notation for 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde?
The canonical SMILES for 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde is COC(C=O)c1ncsc1C.
What is the InChIKey of 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde?
The InChIKey is OUDLYSBREWSBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2S/c1-5-7(8-4-11-5)6(3-9)10-2/h3-4,6H,1-2H3.
What are the key properties of 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde?
2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde has a molecular weight of 171.22 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(5-methyl-1,3-thiazol-4-yl)acetaldehyde is sourced from PubChem (CID 173233497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).