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

C14H8N2O6S — CID 142611766

IUPAC(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H8N2O6S/c17-9-3-1-8(2-4-9)15-13(18)11(23-14(15)19)7-10-5-6-12(22-10)16(20)21/h1-7,17H/b11-7-
InChIKeyFCNGBMUFTWKCQU-XFFZJAGNSA-N
MW332.29 g/mol
LogP3.13
Rot. Bonds3

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

(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 142611766) has the molecular formula C14H8N2O6S and a molecular weight of 332.29 g/mol. Its IUPAC name is (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID142611766
Molecular FormulaC14H8N2O6S
Molecular Weight332.29 g/mol
Exact Mass332.01
IUPAC Name(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(O)cc1
InChIInChI=1S/C14H8N2O6S/c17-9-3-1-8(2-4-9)15-13(18)11(23-14(15)19)7-10-5-6-12(22-10)16(20)21/h1-7,17H/b11-7-
InChIKeyFCNGBMUFTWKCQU-XFFZJAGNSA-N
XLogP3.13
TPSA113.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 53.13
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-(4-hydroxy-3,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 142611769
(5Z)-3-(3-hydroxy-4,5-dimethylphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 142611743
(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)-5-[(5-nitrofuran-2-yl)methylidene]-3-[2-(trifluoromethyl)quinolin-6-yl]-1,3-thiazolidine-2,4-dione
CID 142611694
(5Z)-3-ethyl-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 23274908
3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2856052
5-[(5-nitrofuran-2-yl)methylidene]-3-phenyl-2-phenylimino-1,3-thiazolidin-4-one
CID 1211318
ethyl (2S)-2-[(5E)-5-[(5-nitrofuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023597
3-(hydroxymethyl)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 165343235
(5Z)-3-(3-hydroxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6200697
(5E)-3-(4-chlorophenyl)-5-[(5-hydroxy-2-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126195160

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 142611766) is (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)N1c1ccc(O)cc1.
What is the InChIKey of (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is FCNGBMUFTWKCQU-XFFZJAGNSA-N. The full InChI is InChI=1S/C14H8N2O6S/c17-9-3-1-8(2-4-9)15-13(18)11(23-14(15)19)7-10-5-6-12(22-10)16(20)21/h1-7,17H/b11-7-.
What are the key properties of (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 332.29 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(4-hydroxyphenyl)-5-[(5-nitrofuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 142611766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).