2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde

C14H15NO2S — CID 116968837

IUPAC2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCCc1ccc(OC)c(-c2csc(CC=O)n2)c1
InChIInChI=1S/C14H15NO2S/c1-3-10-4-5-13(17-2)11(8-10)12-9-18-14(15-12)6-7-16/h4-5,7-9H,3,6H2,1-2H3
InChIKeyZXFPIRGTYVCPOQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.12
Rot. Bonds5

About 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde

2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde (PubChem CID 116968837) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
PubChem CID116968837
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
SMILESCCc1ccc(OC)c(-c2csc(CC=O)n2)c1
InChIInChI=1S/C14H15NO2S/c1-3-10-4-5-13(17-2)11(8-10)12-9-18-14(15-12)6-7-16/h4-5,7-9H,3,6H2,1-2H3
InChIKeyZXFPIRGTYVCPOQ-UHFFFAOYSA-N
XLogP3.12
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(5-chloro-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968816
2-(bromomethyl)-4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole
CID 116970303
1-[4-(2-methoxy-5-propylphenyl)-1,3-thiazol-2-yl]-N-methylmethanamine
CID 4009901
2-[4-(2-ethoxy-5-ethylphenyl)-1,3-thiazol-2-yl]ethanamine
CID 4223787
2-[4-(4-methoxy-3,5-dimethylphenyl)-1,3-thiazol-2-yl]acetaldehyde
CID 116968883
2-bromo-4-(5-ethyl-2-methoxyphenyl)pyrimidine
CID 116904266
4-(5-ethyl-2-methoxyphenyl)-1,3-thiazole-2,5-diamine
CID 82480643
2-(chloromethyl)-4-(2,5-dimethoxyphenyl)-1,3-thiazole
CID 62922717
2-ethyl-4-(4-methoxy-2,3-dimethylphenyl)-1,3-thiazole
CID 116970066
[2-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-4-yl]methanethiol
CID 116889475
[4-(5-bromo-2-methoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 82124686
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The IUPAC name of 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde (CID 116968837) is 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde.
What is the SMILES notation for 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The canonical SMILES for 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde is CCc1ccc(OC)c(-c2csc(CC=O)n2)c1.
What is the InChIKey of 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
The InChIKey is ZXFPIRGTYVCPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-10-4-5-13(17-2)11(8-10)12-9-18-14(15-12)6-7-16/h4-5,7-9H,3,6H2,1-2H3.
What are the key properties of 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde?
2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde has a molecular weight of 261.35 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-ethyl-2-methoxyphenyl)-1,3-thiazol-2-yl]acetaldehyde is sourced from PubChem (CID 116968837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).