(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C15H10N2O5S2 — CID 2262763

IUPAC(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O5S2/c1-21-8-2-4-10(11(6-8)17(19)20)12-5-3-9(22-12)7-13-14(18)16-15(23)24-13/h2-7H,1H3,(H,16,18,23)/b13-7-
InChIKeyPDCLYGIATHFPST-QPEQYQDCSA-N
MW362.39 g/mol
LogP3.35
Rot. Bonds4

About (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2262763) has the molecular formula C15H10N2O5S2 and a molecular weight of 362.39 g/mol. Its IUPAC name is (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2262763
Molecular FormulaC15H10N2O5S2
Molecular Weight362.39 g/mol
Exact Mass362.00
IUPAC Name(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H10N2O5S2/c1-21-8-2-4-10(11(6-8)17(19)20)12-5-3-9(22-12)7-13-14(18)16-15(23)24-13/h2-7H,1H3,(H,16,18,23)/b13-7-
InChIKeyPDCLYGIATHFPST-QPEQYQDCSA-N
XLogP3.35
TPSA94.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-3-Ethyl-5-{[5-(2-nitrophenyl)furan-2-YL]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145944
2-Cyano-3-[5-(4-methoxy-2-nitro-phenyl)-furan-2-yl]-N-methyl-acrylamide
CID 782469
5-{[5-(4-Methoxy-2-nitrophenyl)furan-2-YL]methylidene}-1,3-diazinane-2,4,6-trione
CID 1208669
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
(Z)-5-((5-(2-nitrophenyl)furan-2-yl)methylene)-2-thioxothiazolidin-4-one
CID 2261810
2-Amino-5-((5-(2-nitrophenyl)furan-2-yl)methylene)thiazol-4(5H)-one
CID 137629183
5-[[5-(4-Methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1921422
2-[(5Z)-5-{[5-(4-Methoxy-2-nitrophenyl)furan-2-YL]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-YL]pentanedioic acid
CID 16272017
(2Z)-2-{[5-(4-Methoxy-2-nitrophenyl)furan-2-YL]methylidene}-2,3-dihydro-1-benzothiophen-3-one
CID 1105753
(Z)-5-((5-(2-nitrophenyl)furan-2-yl)methylene)-4-thioxothiazolidin-2-one
CID 1522423
(5Z)-2-imino-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 86206595

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2262763) is (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is COc1ccc(-c2ccc(/C=C3\SC(=S)NC3=O)o2)c([N+](=O)[O-])c1.
What is the InChIKey of (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is PDCLYGIATHFPST-QPEQYQDCSA-N. The full InChI is InChI=1S/C15H10N2O5S2/c1-21-8-2-4-10(11(6-8)17(19)20)12-5-3-9(22-12)7-13-14(18)16-15(23)24-13/h2-7H,1H3,(H,16,18,23)/b13-7-.
What are the key properties of (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 362.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2262763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).