ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

C14H18N2O5S — CID 3867158

IUPACethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)o1
InChIInChI=1S/C14H18N2O5S/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-22-14(16)10-5-4-9(2)21-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyALKRHPMINRNMCF-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.84
Rot. Bonds6

About ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (PubChem CID 3867158) has the molecular formula C14H18N2O5S and a molecular weight of 326.37 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
PubChem CID3867158
Molecular FormulaC14H18N2O5S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Nameethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)o1
InChIInChI=1S/C14H18N2O5S/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-22-14(16)10-5-4-9(2)21-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17)
InChIKeyALKRHPMINRNMCF-UHFFFAOYSA-N
XLogP0.84
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate with MolForge

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Related Compounds

methyl 2-[[2-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)acetyl]amino]acetate
CID 23908643
3-(2-methoxyethyl)-2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one
CID 21204936
benzyl 2-[[2-[2-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 4987875
methyl 2-[(2S)-2-(furan-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetate
CID 129362185
2-(5-methylfuran-2-yl)-3-(4-pyrrolidin-1-ylbutyl)-1,3-thiazolidin-4-one
CID 3790416
benzyl 2-[[2-[2-(3,4-dimethoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3321472
benzyl 2-[[2-[2-(3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate
CID 3850087
N-ethyl-2-[2-(3-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 42815205
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3857419
N-ethyl-2-(4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl)acetamide
CID 42815196
N-[3-[3-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]propoxy]phenyl]acetamide
CID 3721425
2-(5-methylfuran-2-yl)-3-[(5-methylpyrazin-2-yl)methyl]-1,3-thiazolidin-4-one
CID 5016061

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate (CID 3867158) is ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)CN1C(=O)CSC1c1ccc(C)o1.
What is the InChIKey of ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
The InChIKey is ALKRHPMINRNMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5S/c1-3-20-13(19)6-15-11(17)7-16-12(18)8-22-14(16)10-5-4-9(2)21-10/h4-5,14H,3,6-8H2,1-2H3,(H,15,17).
What are the key properties of ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate has a molecular weight of 326.37 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 3867158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).