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

C16H10N2O5S — CID 7658382

IUPAC(5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H10N2O5S/c19-13-3-1-2-12(9-13)17-15(20)14(24-16(17)21)8-10-4-6-11(7-5-10)18(22)23/h1-9,19H/b14-8-
InChIKeyDQOFLCSTLDSVOU-ZSOIEALJSA-N
MW342.33 g/mol
LogP3.54
Rot. Bonds3

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

(5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 7658382) has the molecular formula C16H10N2O5S and a molecular weight of 342.33 g/mol. Its IUPAC name is (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID7658382
Molecular FormulaC16H10N2O5S
Molecular Weight342.33 g/mol
Exact Mass342.03
IUPAC Name(5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(O)c1
InChIInChI=1S/C16H10N2O5S/c19-13-3-1-2-12(9-13)17-15(20)14(24-16(17)21)8-10-4-6-11(7-5-10)18(22)23/h1-9,19H/b14-8-
InChIKeyDQOFLCSTLDSVOU-ZSOIEALJSA-N
XLogP3.54
TPSA100.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 53.54
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

4-[[3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzaldehyde
CID 4763216
(5E)-3-(3-chlorophenyl)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126220521
5-[(3-fluorophenyl)methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 4753343
(5Z)-3-(3-hydroxyphenyl)-5-[(2-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6200643
(5Z)-5-[(2-hydroxy-5-nitrophenyl)methylidene]-3-(3-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122713749
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(3-hydroxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6200726
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-(4-nitrophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18773886
(5Z)-3-(4-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1378569
(5E)-3-(3-fluorophenyl)-5-[(4-nitrophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6092372
(5Z)-3-(3-hydroxyphenyl)-5-[[5-(2-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 6200697
3-[4-[(E)-[3-(3-hydroxyphenyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 27413417

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 7658382) is (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N1c1cccc(O)c1.
What is the InChIKey of (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is DQOFLCSTLDSVOU-ZSOIEALJSA-N. The full InChI is InChI=1S/C16H10N2O5S/c19-13-3-1-2-12(9-13)17-15(20)14(24-16(17)21)8-10-4-6-11(7-5-10)18(22)23/h1-9,19H/b14-8-.
What are the key properties of (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 342.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-(3-hydroxyphenyl)-5-[(4-nitrophenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 7658382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).