ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate

C14H14FNO3S — CID 103485128

IUPACethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2cc(O)cc(F)c2)n1
InChIInChI=1S/C14H14FNO3S/c1-2-19-13(18)4-3-11-8-20-14(16-11)9-5-10(15)7-12(17)6-9/h5-8,17H,2-4H2,1H3
InChIKeyCOVZYAZQCPTREM-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.15
Rot. Bonds5

About ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate

ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485128) has the molecular formula C14H14FNO3S and a molecular weight of 295.34 g/mol. Its IUPAC name is ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485128
Molecular FormulaC14H14FNO3S
Molecular Weight295.34 g/mol
Exact Mass295.07
IUPAC Nameethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2cc(O)cc(F)c2)n1
InChIInChI=1S/C14H14FNO3S/c1-2-19-13(18)4-3-11-8-20-14(16-11)9-5-10(15)7-12(17)6-9/h5-8,17H,2-4H2,1H3
InChIKeyCOVZYAZQCPTREM-UHFFFAOYSA-N
XLogP3.15
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485197
ethyl 3-[2-(3,5-difluoroanilino)-1,3-thiazol-4-yl]propanoate
CID 103486013
methyl 3-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 107039584
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
ethyl 3-[2-(2,2-dimethylpropyl)-1,3-thiazol-4-yl]propanoate
CID 103485384
ethyl 4-[3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 110333071
ethyl 2-[2-(4-methylsulfanylphenyl)-1,3-thiazol-4-yl]acetate
CID 80573514

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate (CID 103485128) is ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(-c2cc(O)cc(F)c2)n1.
What is the InChIKey of ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is COVZYAZQCPTREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c1-2-19-13(18)4-3-11-8-20-14(16-11)9-5-10(15)7-12(17)6-9/h5-8,17H,2-4H2,1H3.
What are the key properties of ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 295.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).