(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

C17H13NO4S2 — CID 1230203

IUPAC(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)ccc1O
InChIInChI=1S/C17H13NO4S2/c1-22-14-8-10(2-7-13(14)20)9-15-16(21)18(17(23)24-15)11-3-5-12(19)6-4-11/h2-9,19-20H,1H3/b15-9-
InChIKeyZXRHZDAOUVFSEA-DHDCSXOGSA-N
MW359.43 g/mol
LogP3.51
Rot. Bonds3

About (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1230203) has the molecular formula C17H13NO4S2 and a molecular weight of 359.43 g/mol. Its IUPAC name is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1230203
Molecular FormulaC17H13NO4S2
Molecular Weight359.43 g/mol
Exact Mass359.03
IUPAC Name(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCOc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)ccc1O
InChIInChI=1S/C17H13NO4S2/c1-22-14-8-10(2-7-13(14)20)9-15-16(21)18(17(23)24-15)11-3-5-12(19)6-4-11/h2-9,19-20H,1H3/b15-9-
InChIKeyZXRHZDAOUVFSEA-DHDCSXOGSA-N
XLogP3.51
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl) caffeamide
CID 46861776
3-Benzyl-5-(4-hydroxy-3-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1640536
Bi-ligand, 3
CID 52940028
TC Hsd 21
CID 1774851
(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
CID 1561908
(Z)-5-(3-ethoxy-4-hydroxybenzylidene)-3-(4-ethoxyphenyl)thiazolidine-2,4-dione
CID 2004955
(Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thioxothiazolidin-4-one
CID 1313015
5-(4-Hydroxy-3-methoxybenzylidene)-3-phenyl-2-(phenylimino)-1,3-thiazolidin-4-one
CID 1377804
(5Z)-5-(3,4-dihydroxybenzylidene)-3-phenyl-2-thioxo-1,3-thiazolidin-4-one
CID 2244241
(Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-nitrophenyl)-2-thioxothiazolidin-4-one
CID 5861007
5-(4-Hydroxy-3-methoxy-benzylidene)-3-phenylamino-2-thioxo-thiazolidin-4-one
CID 1202405
N-(4-hydroxyphenyl)-4-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
CID 1356906

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1230203) is (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is COc1cc(/C=C2\SC(=S)N(c3ccc(O)cc3)C2=O)ccc1O.
What is the InChIKey of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is ZXRHZDAOUVFSEA-DHDCSXOGSA-N. The full InChI is InChI=1S/C17H13NO4S2/c1-22-14-8-10(2-7-13(14)20)9-15-16(21)18(17(23)24-15)11-3-5-12(19)6-4-11/h2-9,19-20H,1H3/b15-9-.
What are the key properties of (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 359.43 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-3-(4-hydroxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1230203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).