(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

C15H10N2O5S — CID 1269438

IUPAC(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)NC2=O)o1
InChIInChI=1S/C15H10N2O5S/c1-8-6-9(17(20)21)2-4-11(8)12-5-3-10(22-12)7-13-14(18)16-15(19)23-13/h2-7H,1H3,(H,16,18,19)/b13-7+
InChIKeyCSEGPJKOBMQLKD-NTUHNPAUSA-N
MW330.32 g/mol
LogP3.49
Rot. Bonds3

About (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1269438) has the molecular formula C15H10N2O5S and a molecular weight of 330.32 g/mol. Its IUPAC name is (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1269438
Molecular FormulaC15H10N2O5S
Molecular Weight330.32 g/mol
Exact Mass330.03
IUPAC Name(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)NC2=O)o1
InChIInChI=1S/C15H10N2O5S/c1-8-6-9(17(20)21)2-4-11(8)12-5-3-10(22-12)7-13-14(18)16-15(19)23-13/h2-7H,1H3,(H,16,18,19)/b13-7+
InChIKeyCSEGPJKOBMQLKD-NTUHNPAUSA-N
XLogP3.49
TPSA102.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[5-(3-Nitro-phenyl)-furan-2-ylmethylene]-thiazolidine-2,4-dione
CID 1576348
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N-propylacetamide
CID 2484938
2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-4-oxo-3-thiazolidinyl]-N-propylacetamide
CID 2484945
N-carbamoyl-2-[2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-nitrophenyl)-2-furanyl]methylidene]-4-oxo-3-thiazolidinyl]acetamide
CID 2485364
5-[(5-{4-Nitrophenyl}-2-furyl)methylene]-2-thioxo-4-imidazolidinone
CID 5718019
(5E)-2-imino-5-[[5-(3-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 155524866
(5E)-5-[[5-(2,3-dimethyl-4-nitrophenyl)furan-2-yl]methylidene]-2-imino-1,3-thiazolidin-4-one
CID 155548241
(5E)-2-imino-5-[[5-(4-methyl-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 155558812
5-((5-(2-Bromo-4-nitrophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 1355022
(5Z)-5-((5-(4-Nitrophenyl)-2-furanyl)methylene)-4-oxo-2-thioxo-3-thiazolidinepropanoic acid potassium salt
CID 119057297
5-((5-(4-Nitrophenyl)furan-2-yl)methylene)-4-thioxothiazolidin-2-one
CID 1526414
(Z)-5-((5-(2-nitrophenyl)furan-2-yl)methylene)thiazolidine-2,4-dione
CID 5753500

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione (CID 1269438) is (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)NC2=O)o1.
What is the InChIKey of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is CSEGPJKOBMQLKD-NTUHNPAUSA-N. The full InChI is InChI=1S/C15H10N2O5S/c1-8-6-9(17(20)21)2-4-11(8)12-5-3-10(22-12)7-13-14(18)16-15(19)23-13/h2-7H,1H3,(H,16,18,19)/b13-7+.
What are the key properties of (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 330.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1269438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).