methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate

C16H21NO6S — CID 4987525

IUPACmethyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H21NO6S/c1-20-10-7-11(21-2)15(12(8-10)22-3)16-17(13(18)9-24-16)6-5-14(19)23-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyKFHVPBYLWHGKPL-UHFFFAOYSA-N
MW355.41 g/mol
LogP1.85
Rot. Bonds7

About methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate

methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate (PubChem CID 4987525) has the molecular formula C16H21NO6S and a molecular weight of 355.41 g/mol. Its IUPAC name is methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
PubChem CID4987525
Molecular FormulaC16H21NO6S
Molecular Weight355.41 g/mol
Exact Mass355.11
IUPAC Namemethyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate
SMILESCOC(=O)CCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC
InChIInChI=1S/C16H21NO6S/c1-20-10-7-11(21-2)15(12(8-10)22-3)16-17(13(18)9-24-16)6-5-14(19)23-4/h7-8,16H,5-6,9H2,1-4H3
InChIKeyKFHVPBYLWHGKPL-UHFFFAOYSA-N
XLogP1.85
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The IUPAC name of methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate (CID 4987525) is methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate is COC(=O)CCN1C(=O)CSC1c1c(OC)cc(OC)cc1OC.
What is the InChIKey of methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
The InChIKey is KFHVPBYLWHGKPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6S/c1-20-10-7-11(21-2)15(12(8-10)22-3)16-17(13(18)9-24-16)6-5-14(19)23-4/h7-8,16H,5-6,9H2,1-4H3.
What are the key properties of methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate?
methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate has a molecular weight of 355.41 g/mol, XLogP of 1.85, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-oxo-2-(2,4,6-trimethoxyphenyl)-1,3-thiazolidin-3-yl]propanoate is sourced from PubChem (CID 4987525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).