ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate

C18H25NO6S — CID 3867156

IUPACethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
SMILESCCOC(=O)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H25NO6S/c1-5-25-16(21)7-6-8-19-15(20)11-26-18(19)12-9-13(22-2)17(24-4)14(10-12)23-3/h9-10,18H,5-8,11H2,1-4H3
InChIKeyMJXJIKUENPACNP-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.63
Rot. Bonds9

About ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate

ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate (PubChem CID 3867156) has the molecular formula C18H25NO6S and a molecular weight of 383.47 g/mol. Its IUPAC name is ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate.

Molecular Properties

Compound Nameethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
PubChem CID3867156
Molecular FormulaC18H25NO6S
Molecular Weight383.47 g/mol
Exact Mass383.14
IUPAC Nameethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate
SMILESCCOC(=O)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C18H25NO6S/c1-5-25-16(21)7-6-8-19-15(20)11-26-18(19)12-9-13(22-2)17(24-4)14(10-12)23-3/h9-10,18H,5-8,11H2,1-4H3
InChIKeyMJXJIKUENPACNP-UHFFFAOYSA-N
XLogP2.63
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate?
The IUPAC name of ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate (CID 3867156) is ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate.
What is the SMILES notation for ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate?
The canonical SMILES for ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate is CCOC(=O)CCCN1C(=O)CSC1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate?
The InChIKey is MJXJIKUENPACNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6S/c1-5-25-16(21)7-6-8-19-15(20)11-26-18(19)12-9-13(22-2)17(24-4)14(10-12)23-3/h9-10,18H,5-8,11H2,1-4H3.
What are the key properties of ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate?
ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate has a molecular weight of 383.47 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-thiazolidin-3-yl]butanoate is sourced from PubChem (CID 3867156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).