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

C19H18N2O3S2 — CID 1410264

IUPAC(5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H18N2O3S2/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21(19(25)26-17)20-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyYICBUPPRDRGLSL-ATVHPVEESA-N
MW386.50 g/mol
LogP4.32
Rot. Bonds6

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

(5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 1410264) has the molecular formula C19H18N2O3S2 and a molecular weight of 386.50 g/mol. Its IUPAC name is (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID1410264
Molecular FormulaC19H18N2O3S2
Molecular Weight386.50 g/mol
Exact Mass386.08
IUPAC Name(5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC
InChIInChI=1S/C19H18N2O3S2/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21(19(25)26-17)20-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b17-12-
InChIKeyYICBUPPRDRGLSL-ATVHPVEESA-N
XLogP4.32
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
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

(Z)-5-(4-hydroxy-3-methoxybenzylidene)-3-(methyl(phenyl)amino)-2-thioxothiazolidin-4-one
CID 1561908
4-(3-Methoxy-4-prop-2-ynyloxy-benzylidene)-1-phenyl-pyrazolidine-3,5-dione
CID 1794642
5-(4-Hydroxy-3-methoxy-benzylidene)-3-phenylamino-2-thioxo-thiazolidin-4-one
CID 1202405
(2E,5E)-5-[(4-Ethoxy-3-methoxyphenyl)methylidene]-2-(phenylimino)-1,3-thiazolidin-4-one
CID 135850180
(5Z)-3-anilino-5-(3,4-dihydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1630995
5-[(3,4-Dimethoxyphenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 135485273
3-Anilino-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one
CID 1363897
3-Anilino-2-thioxo-5-(3,4,5-trimethoxybenzylidene)-1,3-thiazolidin-4-one
CID 1363961
N-[(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-nitrobenzamide
CID 1569234
N-[(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2-nitrobenzamide
CID 1601862
N-[(5E)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
CID 1606641
2-(2-methoxy-4-((4-oxo-2-thioxothiazolidin-5-ylidene)methyl)phenoxy)-N-phenylacetamide
CID 16627069

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 1410264) is (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCOc1ccc(/C=C2\SC(=S)N(Nc3ccccc3)C2=O)cc1OC.
What is the InChIKey of (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is YICBUPPRDRGLSL-ATVHPVEESA-N. The full InChI is InChI=1S/C19H18N2O3S2/c1-3-24-15-10-9-13(11-16(15)23-2)12-17-18(22)21(19(25)26-17)20-14-7-5-4-6-8-14/h4-12,20H,3H2,1-2H3/b17-12-.
What are the key properties of (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 386.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-anilino-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 1410264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).