methoxyethane;1,3-thiazole-2-carbaldehyde

C7H11NO2S — CID 143844675

IUPACmethoxyethane;1,3-thiazole-2-carbaldehyde
SMILESCCOC.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.C3H8O/c6-3-4-5-1-2-7-4;1-3-4-2/h1-3H;3H2,1-2H3
InChIKeyISPGUVMDILQXBR-UHFFFAOYSA-N
MW173.24 g/mol
LogP1.61
Rot. Bonds2

About methoxyethane;1,3-thiazole-2-carbaldehyde

methoxyethane;1,3-thiazole-2-carbaldehyde (PubChem CID 143844675) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is methoxyethane;1,3-thiazole-2-carbaldehyde.

Molecular Properties

Compound Namemethoxyethane;1,3-thiazole-2-carbaldehyde
PubChem CID143844675
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Namemethoxyethane;1,3-thiazole-2-carbaldehyde
SMILESCCOC.O=Cc1nccs1
InChIInChI=1S/C4H3NOS.C3H8O/c6-3-4-5-1-2-7-4;1-3-4-2/h1-3H;3H2,1-2H3
InChIKeyISPGUVMDILQXBR-UHFFFAOYSA-N
XLogP1.61
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 51.61
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 methoxyethane;1,3-thiazole-2-carbaldehyde?
The IUPAC name of methoxyethane;1,3-thiazole-2-carbaldehyde (CID 143844675) is methoxyethane;1,3-thiazole-2-carbaldehyde.
What is the SMILES notation for methoxyethane;1,3-thiazole-2-carbaldehyde?
The canonical SMILES for methoxyethane;1,3-thiazole-2-carbaldehyde is CCOC.O=Cc1nccs1.
What is the InChIKey of methoxyethane;1,3-thiazole-2-carbaldehyde?
The InChIKey is ISPGUVMDILQXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NOS.C3H8O/c6-3-4-5-1-2-7-4;1-3-4-2/h1-3H;3H2,1-2H3.
What are the key properties of methoxyethane;1,3-thiazole-2-carbaldehyde?
methoxyethane;1,3-thiazole-2-carbaldehyde has a molecular weight of 173.24 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxyethane;1,3-thiazole-2-carbaldehyde is sourced from PubChem (CID 143844675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).