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

C15H17NO4S — CID 103485197

IUPACethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C15H17NO4S/c1-3-20-14(18)7-5-11-9-21-15(16-11)10-4-6-13(19-2)12(17)8-10/h4,6,8-9,17H,3,5,7H2,1-2H3
InChIKeyRKHWLHQWWJGQOC-UHFFFAOYSA-N
MW307.37 g/mol
LogP3.02
Rot. Bonds6

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

ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate (PubChem CID 103485197) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
PubChem CID103485197
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Nameethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
SMILESCCOC(=O)CCc1csc(-c2ccc(OC)c(O)c2)n1
InChIInChI=1S/C15H17NO4S/c1-3-20-14(18)7-5-11-9-21-15(16-11)10-4-6-13(19-2)12(17)8-10/h4,6,8-9,17H,3,5,7H2,1-2H3
InChIKeyRKHWLHQWWJGQOC-UHFFFAOYSA-N
XLogP3.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[2-(3-fluoro-5-hydroxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485128
ethyl 3-[2-(3-chloro-5-fluorophenyl)-1,3-thiazol-4-yl]propanoate
CID 103485093
ethyl 3-(3-hydroxy-4-methoxyphenyl)propanoate
CID 10867928
ethyl 3-[2-(2-ethoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 103485086
methyl 3-[2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1,3-thiazol-4-yl]propanoate
CID 136871140
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(2-methoxyphenyl)propanoate
CID 7871098
2-(3,4-dimethoxyphenyl)-4-propyl-1,3-thiazole
CID 112692422
ethyl 3-[2-(5-bromothiophen-2-yl)-1,3-thiazol-4-yl]propanoate
CID 103485198
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 3-(1H-indol-3-yl)propanoate
CID 4855143
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
ethyl 3-[2-(5-chloro-1,3-thiazol-2-yl)-1,3-thiazol-4-yl]propanoate
CID 107124580
ethyl 2-[2-(3,4-difluorophenyl)-1,3-thiazol-4-yl]acetate
CID 78990286

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The IUPAC name of ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate (CID 103485197) is ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate.
What is the SMILES notation for ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The canonical SMILES for ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate is CCOC(=O)CCc1csc(-c2ccc(OC)c(O)c2)n1.
What is the InChIKey of ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate?
The InChIKey is RKHWLHQWWJGQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-20-14(18)7-5-11-9-21-15(16-11)10-4-6-13(19-2)12(17)8-10/h4,6,8-9,17H,3,5,7H2,1-2H3.
What are the key properties of ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate?
ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate has a molecular weight of 307.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-hydroxy-4-methoxyphenyl)-1,3-thiazol-4-yl]propanoate is sourced from PubChem (CID 103485197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).