methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

C14H17NO4S — CID 3402208

IUPACmethyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4S/c1-18-11-5-3-10(4-6-11)14-15(12(16)9-20-14)8-7-13(17)19-2/h3-6,14H,7-9H2,1-2H3
InChIKeyAAGRREHZQOXZCP-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.83
Rot. Bonds5

About methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate

methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (PubChem CID 3402208) has the molecular formula C14H17NO4S and a molecular weight of 295.36 g/mol. Its IUPAC name is methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
PubChem CID3402208
Molecular FormulaC14H17NO4S
Molecular Weight295.36 g/mol
Exact Mass295.09
IUPAC Namemethyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4S/c1-18-11-5-3-10(4-6-11)14-15(12(16)9-20-14)8-7-13(17)19-2/h3-6,14H,7-9H2,1-2H3
InChIKeyAAGRREHZQOXZCP-UHFFFAOYSA-N
XLogP1.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate (CID 3402208) is methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is COC(=O)CCN1C(=O)CSC1c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is AAGRREHZQOXZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4S/c1-18-11-5-3-10(4-6-11)14-15(12(16)9-20-14)8-7-13(17)19-2/h3-6,14H,7-9H2,1-2H3.
What are the key properties of methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate?
methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 295.36 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 3402208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).