(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C15H12N2O5S2 — CID 1351008

IUPAC(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C15H12N2O5S2/c18-10-3-1-9(2-4-10)7-11-13(20)17(15(22)24-11)6-5-16-12(19)8-23-14(16)21/h1-4,7,18H,5-6,8H2/b11-7+
InChIKeyPVOQUCLGPAOZOK-YRNVUSSQSA-N
MW364.40 g/mol
LogP2.12
Rot. Bonds4

About (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 1351008) has the molecular formula C15H12N2O5S2 and a molecular weight of 364.40 g/mol. Its IUPAC name is (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID1351008
Molecular FormulaC15H12N2O5S2
Molecular Weight364.40 g/mol
Exact Mass364.02
IUPAC Name(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O
InChIInChI=1S/C15H12N2O5S2/c18-10-3-1-9(2-4-10)7-11-13(20)17(15(22)24-11)6-5-16-12(19)8-23-14(16)21/h1-4,7,18H,5-6,8H2/b11-7+
InChIKeyPVOQUCLGPAOZOK-YRNVUSSQSA-N
XLogP2.12
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
CID 6981649
3-benzyl-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1351149
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-1,3-thiazolidine-2,4-dione
CID 122711493
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3,3,3-trifluoro-2-oxopropyl)-1,3-thiazolidine-2,4-dione
CID 46907058
(5Z)-3-[(2,6-dichlorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2720046
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-propan-2-yl-1,3-thiazolidine-2,4-dione
CID 6068547
3-[(2-fluorophenyl)methyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 73462941
2-[[5-[(4-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzonitrile
CID 1229469
3-(4-hydroxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 2856052
2-(5-benzylidene-2,4-dioxo-1,3-thiazolidin-3-yl)ethylazanium
CID 3596061
2-[5-[(4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2787572
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-(2-methoxyethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6375692

Frequently Asked Questions

What is the IUPAC name of (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 1351008) is (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1CCN1C(=O)S/C(=C/c2ccc(O)cc2)C1=O.
What is the InChIKey of (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is PVOQUCLGPAOZOK-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H12N2O5S2/c18-10-3-1-9(2-4-10)7-11-13(20)17(15(22)24-11)6-5-16-12(19)8-23-14(16)21/h1-4,7,18H,5-6,8H2/b11-7+.
What are the key properties of (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 364.40 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1351008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).