[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate

C16H16N2O4S — CID 3507515

IUPAC[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2SCC(=O)N2Cc2cccnc2)o1
InChIInChI=1S/C16H16N2O4S/c1-11(19)21-9-13-4-5-14(22-13)16-18(15(20)10-23-16)8-12-3-2-6-17-7-12/h2-7,16H,8-10H2,1H3
InChIKeyZAMVZRKXZLWZSF-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.51
Rot. Bonds5

About [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate

[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate (PubChem CID 3507515) has the molecular formula C16H16N2O4S and a molecular weight of 332.38 g/mol. Its IUPAC name is [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate.

Molecular Properties

Compound Name[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate
PubChem CID3507515
Molecular FormulaC16H16N2O4S
Molecular Weight332.38 g/mol
Exact Mass332.08
IUPAC Name[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc(C2SCC(=O)N2Cc2cccnc2)o1
InChIInChI=1S/C16H16N2O4S/c1-11(19)21-9-13-4-5-14(22-13)16-18(15(20)10-23-16)8-12-3-2-6-17-7-12/h2-7,16H,8-10H2,1H3
InChIKeyZAMVZRKXZLWZSF-UHFFFAOYSA-N
XLogP2.51
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate with MolForge

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Related Compounds

2-pyridin-3-yl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 2732021
2-(5-methylfuran-2-yl)-3-(pyridin-4-ylmethyl)-1,3-thiazolidin-4-one
CID 3857419
2-propyl-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 74224086
(2S)-3-[(4-methoxyphenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6925536
(2S)-3-[(4-chlorophenyl)methyl]-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 6924944
methyl 4-[4-oxo-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-2-yl]benzoate
CID 3712596
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
2-(5-ethylfuran-2-yl)-3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-1,3-thiazolidin-4-one
CID 23822374
2-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-4-one
CID 3297809
3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 649635
(2S)-3-acetyl-4-hydroxy-2-phenyl-1-(pyridin-3-ylmethyl)-2H-pyrrol-5-one
CID 699369
2-(3-methoxyphenyl)-3-(2-pyridin-3-ylethyl)-1,3-thiazolidin-4-one
CID 3871494

Frequently Asked Questions

What is the IUPAC name of [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate?
The IUPAC name of [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate (CID 3507515) is [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate.
What is the SMILES notation for [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate?
The canonical SMILES for [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate is CC(=O)OCc1ccc(C2SCC(=O)N2Cc2cccnc2)o1.
What is the InChIKey of [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate?
The InChIKey is ZAMVZRKXZLWZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4S/c1-11(19)21-9-13-4-5-14(22-13)16-18(15(20)10-23-16)8-12-3-2-6-17-7-12/h2-7,16H,8-10H2,1H3.
What are the key properties of [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate?
[5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate has a molecular weight of 332.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-oxo-3-(pyridin-3-ylmethyl)-1,3-thiazolidin-2-yl]furan-2-yl]methyl acetate is sourced from PubChem (CID 3507515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).