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

C18H13NO4S — CID 4246526

IUPAC5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2C(=O)SC(=Cc3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C18H13NO4S/c1-11-5-7-13(8-6-11)16(21)19-17(22)15(24-18(19)23)10-12-3-2-4-14(20)9-12/h2-10,20H,1H3
InChIKeyFAOKKJFKAMWATI-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.58
Rot. Bonds2

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

5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione (PubChem CID 4246526) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione
PubChem CID4246526
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione
SMILESCc1ccc(C(=O)N2C(=O)SC(=Cc3cccc(O)c3)C2=O)cc1
InChIInChI=1S/C18H13NO4S/c1-11-5-7-13(8-6-11)16(21)19-17(22)15(24-18(19)23)10-12-3-2-4-14(20)9-12/h2-10,20H,1H3
InChIKeyFAOKKJFKAMWATI-UHFFFAOYSA-N
XLogP3.58
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3-methylphenyl)-1,3-thiazolidine-2,4-dione
CID 18836725
(5Z)-3-(4-methylbenzoyl)-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 102169821
3-benzoyl-5-[(4-methoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 171132370
3-benzoyl-5-[(4-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 569929
(5Z)-3-(4-hydroxyphenyl)-5-[[3-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18840264
(5Z)-3-(4-chlorophenyl)-5-[(3-hydroxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18840496
(5E)-5-[(2,4-dichlorophenyl)methylidene]-3-(4-methoxybenzoyl)-1,3-thiazolidine-2,4-dione
CID 126843699
(5E)-5-[(3-hydroxyphenyl)methylidene]-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-thiazolidine-2,4-dione
CID 16627060
5-(anthracen-9-ylmethylidene)-3-benzoyl-1,3-thiazolidine-2,4-dione
CID 3322634
5-[(2,4-dichlorophenyl)methylidene]-3-(4-methylbenzoyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132384
2-[5-[(3-hydroxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide
CID 1232158
(5Z)-5-[(3-hydroxyphenyl)methylidene]-3-(3,3,3-trifluoro-2,2-dihydroxypropyl)-1,3-thiazolidine-2,4-dione
CID 46907127

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione (CID 4246526) is 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione is Cc1ccc(C(=O)N2C(=O)SC(=Cc3cccc(O)c3)C2=O)cc1.
What is the InChIKey of 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is FAOKKJFKAMWATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO4S/c1-11-5-7-13(8-6-11)16(21)19-17(22)15(24-18(19)23)10-12-3-2-4-14(20)9-12/h2-10,20H,1H3.
What are the key properties of 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione?
5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 339.37 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxyphenyl)methylidene]-3-(4-methylbenzoyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 4246526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).