2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde

C14H15NO2S — CID 95467468

IUPAC2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
SMILESCCc1cc(Cc2ncc(C=O)s2)ccc1OC
InChIInChI=1S/C14H15NO2S/c1-3-11-6-10(4-5-13(11)17-2)7-14-15-8-12(9-16)18-14/h4-6,8-9H,3,7H2,1-2H3
InChIKeyCLDBGZQYRJKNEG-UHFFFAOYSA-N
MW261.35 g/mol
LogP3.12
Rot. Bonds5

About 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde

2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde (PubChem CID 95467468) has the molecular formula C14H15NO2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
PubChem CID95467468
Molecular FormulaC14H15NO2S
Molecular Weight261.35 g/mol
Exact Mass261.08
IUPAC Name2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
SMILESCCc1cc(Cc2ncc(C=O)s2)ccc1OC
InChIInChI=1S/C14H15NO2S/c1-3-11-6-10(4-5-13(11)17-2)7-14-15-8-12(9-16)18-14/h4-6,8-9H,3,7H2,1-2H3
InChIKeyCLDBGZQYRJKNEG-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-[(3-chloro-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde
CID 82304936
4-ethyl-2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82154201
2-[2-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82369380
(3-ethyl-4-methoxyphenyl)methanethiol
CID 82125341
2-[2-[(3-ethyl-4-methoxyphenyl)methyl]-1H-imidazol-5-yl]ethanamine
CID 95466138
2-methoxy-5-(1,3-thiazol-2-ylmethyl)benzaldehyde
CID 79823849
4-[(3-ethyl-4-methoxyphenyl)methyl]-3,5-dimethylphenol
CID 66642899
2-pentyl-1,3-thiazole-5-carbaldehyde
CID 139349379
5-(3-ethyl-4-methoxyphenyl)-1H-pyrazole-4-carbaldehyde
CID 71565110
2-[(3-ethyl-4-methoxyphenyl)methylamino]acetonitrile
CID 115130978
2-(3-ethyl-4-methoxyphenyl)-N'-methylacetohydrazide
CID 116846195
1-(3-ethyl-4-methoxyphenyl)-N-methylbutan-2-amine
CID 112513153

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde (CID 95467468) is 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde is CCc1cc(Cc2ncc(C=O)s2)ccc1OC.
What is the InChIKey of 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde?
The InChIKey is CLDBGZQYRJKNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2S/c1-3-11-6-10(4-5-13(11)17-2)7-14-15-8-12(9-16)18-14/h4-6,8-9H,3,7H2,1-2H3.
What are the key properties of 2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde?
2-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde 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-[(3-ethyl-4-methoxyphenyl)methyl]-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 95467468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).