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

C11H9NO2S — CID 4554836

IUPAC2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyYZUAAQCBGVFCRK-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.63
Rot. Bonds3

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

2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde (PubChem CID 4554836) has the molecular formula C11H9NO2S and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
PubChem CID4554836
Molecular FormulaC11H9NO2S
Molecular Weight219.26 g/mol
Exact Mass219.04
IUPAC Name2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde
SMILESCOc1ccc(-c2nc(C=O)cs2)cc1
InChIInChI=1S/C11H9NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-7H,1H3
InChIKeyYZUAAQCBGVFCRK-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.63
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-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde (CID 4554836) is 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde is COc1ccc(-c2nc(C=O)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
The InChIKey is YZUAAQCBGVFCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-10-4-2-8(3-5-10)11-12-9(6-13)7-15-11/h2-7H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde?
2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde has a molecular weight of 219.26 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1,3-thiazole-4-carbaldehyde is sourced from PubChem (CID 4554836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).