ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

C14H15NO5S — CID 171346009

IUPACethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15NO5S/c1-2-20-12(17)8-15-13(18)11(21-14(15)19)7-9-3-5-10(16)6-4-9/h3-6,11,16H,2,7-8H2,1H3
InChIKeyRDWWODLSTLIZEG-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.56
Rot. Bonds5

About ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (PubChem CID 171346009) has the molecular formula C14H15NO5S and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
PubChem CID171346009
Molecular FormulaC14H15NO5S
Molecular Weight309.34 g/mol
Exact Mass309.07
IUPAC Nameethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
SMILESCCOC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15NO5S/c1-2-20-12(17)8-15-13(18)11(21-14(15)19)7-9-3-5-10(16)6-4-9/h3-6,11,16H,2,7-8H2,1H3
InChIKeyRDWWODLSTLIZEG-UHFFFAOYSA-N
XLogP1.56
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate (CID 171346009) is ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is CCOC(=O)CN1C(=O)SC(Cc2ccc(O)cc2)C1=O.
What is the InChIKey of ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
The InChIKey is RDWWODLSTLIZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO5S/c1-2-20-12(17)8-15-13(18)11(21-14(15)19)7-9-3-5-10(16)6-4-9/h3-6,11,16H,2,7-8H2,1H3.
What are the key properties of ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate?
ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate has a molecular weight of 309.34 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(4-hydroxyphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate is sourced from PubChem (CID 171346009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).