2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide

C14H14N2O5S2 — CID 45369573

IUPAC2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC1CSCC1O
InChIInChI=1S/C14H14N2O5S2/c17-10-7-22-6-9(10)15-12(18)5-16-13(19)11(23-14(16)20)4-8-2-1-3-21-8/h1-4,9-10,17H,5-7H2,(H,15,18)/b11-4-
InChIKeyGSEILHXZBLZUPS-WCIBSUBMSA-N
MW354.41 g/mol
LogP0.91
Rot. Bonds4

About 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide

2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide (PubChem CID 45369573) has the molecular formula C14H14N2O5S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide.

Molecular Properties

Compound Name2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
PubChem CID45369573
Molecular FormulaC14H14N2O5S2
Molecular Weight354.41 g/mol
Exact Mass354.03
IUPAC Name2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide
SMILESO=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC1CSCC1O
InChIInChI=1S/C14H14N2O5S2/c17-10-7-22-6-9(10)15-12(18)5-16-13(19)11(23-14(16)20)4-8-2-1-3-21-8/h1-4,9-10,17H,5-7H2,(H,15,18)/b11-4-
InChIKeyGSEILHXZBLZUPS-WCIBSUBMSA-N
XLogP0.91
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

4-[(5Z)-5-(furan-2-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(3S,4S)-4-hydroxythiolan-3-yl]butanamide
CID 51825077
2-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(3R,4S)-4-hydroxythiolan-3-yl]acetamide
CID 94545324
N-(4-fluorophenyl)-2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 16632035
2-[[2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]amino]benzoic acid
CID 27425141
3-ethyl-5-(furan-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 4760530
2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]acetamide
CID 92946083
3-[(5Z)-5-[(4-chlorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[(3S,4S)-4-hydroxythiolan-3-yl]propanamide
CID 94545338
2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 50739567
2-[(5Z)-5-[(2,3-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[(3S,4R)-4-hydroxythiolan-3-yl]acetamide
CID 94545379
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414
N-(4-hydroxythiolan-3-yl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
CID 45369798
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743

Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The IUPAC name of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide (CID 45369573) is 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide.
What is the SMILES notation for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The canonical SMILES for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide is O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NC1CSCC1O.
What is the InChIKey of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
The InChIKey is GSEILHXZBLZUPS-WCIBSUBMSA-N. The full InChI is InChI=1S/C14H14N2O5S2/c17-10-7-22-6-9(10)15-12(18)5-16-13(19)11(23-14(16)20)4-8-2-1-3-21-8/h1-4,9-10,17H,5-7H2,(H,15,18)/b11-4-.
What are the key properties of 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide?
2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide has a molecular weight of 354.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-(4-hydroxythiolan-3-yl)acetamide is sourced from PubChem (CID 45369573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).