(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C16H12N2O6S — CID 142611769

IUPAC(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc(C)c1O
InChIInChI=1S/C16H12N2O6S/c1-8-5-10(6-9(2)14(8)19)17-15(20)12(25-16(17)21)7-11-3-4-13(24-11)18(22)23/h3-7,19H,1-2H3/b12-7-
InChIKeyWIRUUUKFGNMIFA-GHXNOFRVSA-N
MW360.35 g/mol
LogP3.75
Rot. Bonds3

About (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 142611769) has the molecular formula C16H12N2O6S and a molecular weight of 360.35 g/mol. Its IUPAC name is (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID142611769
Molecular FormulaC16H12N2O6S
Molecular Weight360.35 g/mol
Exact Mass360.04
IUPAC Name(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCc1cc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc(C)c1O
InChIInChI=1S/C16H12N2O6S/c1-8-5-10(6-9(2)14(8)19)17-15(20)12(25-16(17)21)7-11-3-4-13(24-11)18(22)23/h3-7,19H,1-2H3/b12-7-
InChIKeyWIRUUUKFGNMIFA-GHXNOFRVSA-N
XLogP3.75
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

(5Z)-3-(3-hydroxy-4,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 142611743
(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 142611766
(5E)-3-(3-chlorophenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126219752
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 23275202
(5Z)-3-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23274908
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-3-[2-(trifluoromethyl)quinolin-6-yl]-1,3-thiazolidine-2,4-dione
CID 142611694
ethyl (2S)-2-[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023597
N-(4-methylphenyl)-2-[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 21231482
(5E)-3-(3-methylphenyl)-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18836750
(5E)-3-(3-methoxypropyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126252281
5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1211318
(5Z)-3-(3-chlorophenyl)-5-[[5-(2-methyl-4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 1362551

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 142611769) is (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is Cc1cc(N2C(=O)S/C(=C\c3ccc([N+](=O)[O-])o3)C2=O)cc(C)c1O.
What is the InChIKey of (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is WIRUUUKFGNMIFA-GHXNOFRVSA-N. The full InChI is InChI=1S/C16H12N2O6S/c1-8-5-10(6-9(2)14(8)19)17-15(20)12(25-16(17)21)7-11-3-4-13(24-11)18(22)23/h3-7,19H,1-2H3/b12-7-.
What are the key properties of (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 360.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 142611769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).