ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate

C16H19NO3S — CID 103485086

IUPACethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccccc2OCC)n1
InChIInChI=1S/C16H19NO3S/c1-3-19-14-8-6-5-7-13(14)16-17-12(11-21-16)9-10-15(18)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyAPNAXYXVKMUYLQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.70
Rot. Bonds7

About ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485086) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485086
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Nameethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccccc2OCC)n1
InChIInChI=1S/C16H19NO3S/c1-3-19-14-8-6-5-7-13(14)16-17-12(11-21-16)9-10-15(18)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3
InChIKeyAPNAXYXVKMUYLQ-UHFFFAOYSA-N
XLogP3.70
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 15336769
ethyl 3-(2-imidazo[1,2-a]pyridin-3-yl-1,3-thiazol-4-yl)propanoate
CID 122145273
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
2-(2-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid
CID 43140171
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-ethoxybenzoate
CID 16523884
ethyl 2-[2-(2-methylphenyl)-1,3-thiazol-4-yl]acetate
CID 78908719
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 16593943
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485197
2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methylbutan-2-yl)acetamide
CID 43039088
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]acetate
CID 55562948

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate (CID 103485086) is ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(-c2ccccc2OCC)n1.
What is the InChIKey of ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is APNAXYXVKMUYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-3-19-14-8-6-5-7-13(14)16-17-12(11-21-16)9-10-15(18)20-4-2/h5-8,11H,3-4,9-10H2,1-2H3.
What are the key properties of ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 305.40 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).