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

C18H13NO4S — CID 2266667

IUPAC(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1
InChIInChI=1S/C18H13NO4S/c20-14-8-6-12(7-9-14)10-16-17(22)19(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10,20H,11H2/b16-10-
InChIKeyUKOJJPQQCRVECC-YBEGLDIGSA-N
MW339.37 g/mol
LogP3.31
Rot. Bonds4

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

(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (PubChem CID 2266667) has the molecular formula C18H13NO4S and a molecular weight of 339.37 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
PubChem CID2266667
Molecular FormulaC18H13NO4S
Molecular Weight339.37 g/mol
Exact Mass339.06
IUPAC Name(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione
SMILESO=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1
InChIInChI=1S/C18H13NO4S/c20-14-8-6-12(7-9-14)10-16-17(22)19(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10,20H,11H2/b16-10-
InChIKeyUKOJJPQQCRVECC-YBEGLDIGSA-N
XLogP3.31
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3-Benzyl-5-(4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1912931
3-Benzyl-5-(4-hydroxybenzylidene)-2-thioxothiazolidin-4-one
CID 1912930
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-[(1-methylcyclohexyl)methyl]-1,3-thiazolidine-2,4-dione
CID 24827533
(5Z)-5-(4-hydroxybenzylidene)-3-(4-methylbenzyl)-1,3-thiazolidine-2,4-dione
CID 1819993
Neolamellarin B
CID 24179371
(5Z)-5-(4-hydroxybenzylidene)-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
CID 5532385
4-[5-(4-Hydroxybenzylidene)-2,4-dioxothiazolidin-3-yl]methylbenzoic acid
CID 18864297
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-(3,3,3-trifluoro-2-oxopropyl)-1,3-thiazolidine-2,4-dione
CID 46907058
(5Z)-3-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxo-ethyl]-5-[(4-hydroxyphenyl)methylene]thiazolidine-2,4-dione
CID 76325267
(5E)-5-[(4-methoxyphenyl)methylidene]-3-phenacyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 155555440
4-[[(5Z)-5-[[4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 53377338
(5Z)-5-[[4-[(E)-3-(4-hydroxyphenyl)-3-oxoprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71461947

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione (CID 2266667) is (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is O=C(CN1C(=O)S/C(=C\c2ccc(O)cc2)C1=O)c1ccccc1.
What is the InChIKey of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
The InChIKey is UKOJJPQQCRVECC-YBEGLDIGSA-N. The full InChI is InChI=1S/C18H13NO4S/c20-14-8-6-12(7-9-14)10-16-17(22)19(18(23)24-16)11-15(21)13-4-2-1-3-5-13/h1-10,20H,11H2/b16-10-.
What are the key properties of (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione has a molecular weight of 339.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxyphenyl)methylidene]-3-phenacyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2266667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).