2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide

C15H11N3O4S — CID 162661860

IUPAC2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccccn1
InChIInChI=1S/C15H11N3O4S/c19-13(17-12-5-1-2-6-16-12)9-18-14(20)11(23-15(18)21)8-10-4-3-7-22-10/h1-8H,9H2,(H,16,17,19)/b11-8+
InChIKeyYLTUEKXNPQEFFO-DHZHZOJOSA-N
MW329.34 g/mol
LogP2.35
Rot. Bonds4

About 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide

2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide (PubChem CID 162661860) has the molecular formula C15H11N3O4S and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide
PubChem CID162661860
Molecular FormulaC15H11N3O4S
Molecular Weight329.34 g/mol
Exact Mass329.05
IUPAC Name2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide
SMILESO=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccccn1
InChIInChI=1S/C15H11N3O4S/c19-13(17-12-5-1-2-6-16-12)9-18-14(20)11(23-15(18)21)8-10-4-3-7-22-10/h1-8H,9H2,(H,16,17,19)/b11-8+
InChIKeyYLTUEKXNPQEFFO-DHZHZOJOSA-N
XLogP2.35
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 24251169
3-Furan-2-yl-N-pyridin-2-yl-acrylamide
CID 839823
3-(2-furyl)-N-(5-methyl-2-pyridinyl)acrylamide
CID 898228
(2e,2'e)-N,N'-(pyridine-2,6-diyl)bis(3-(furan-2-yl)acrylamide)
CID 2165557
N-[(Furan-2-yl)methyl]pyridin-2-amine
CID 252569
(E)-3-(furan-2-yl)-N-[(4-methylpyridin-2-yl)carbamothioyl]prop-2-enamide
CID 884653
2-furyl-N-[6-(2-furylcarbonylamino)(3-pyridyl)]carboxamide
CID 1452811
N-(pyridin-2-ylcarbamothioyl)furan-2-carboxamide
CID 2305909
(E)-3-(furan-2-yl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 2406282
3-(Furan-2-ylmethyl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
CID 3244221
(E)-3-(furan-2-yl)-N,N-dipyridin-2-ylprop-2-enamide
CID 5666777
(E)-2-cyano-3-(5-methylfuran-2-yl)-N-pyridin-2-ylprop-2-enamide
CID 6281694

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide (CID 162661860) is 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide is O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)Nc1ccccn1.
What is the InChIKey of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide?
The InChIKey is YLTUEKXNPQEFFO-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H11N3O4S/c19-13(17-12-5-1-2-6-16-12)9-18-14(20)11(23-15(18)21)8-10-4-3-7-22-10/h1-8H,9H2,(H,16,17,19)/b11-8+.
What are the key properties of 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide?
2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide has a molecular weight of 329.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 162661860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).