(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

C16H20N2O3S — CID 2143065

IUPAC(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1CC
InChIInChI=1S/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3/b14-10-,17-16+
InChIKeyUJVDURMVRHMNSR-OJSJQURBSA-N
MW320.41 g/mol
LogP3.10
Rot. Bonds5

About (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one

(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 2143065) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID2143065
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1CC
InChIInChI=1S/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3/b14-10-,17-16+
InChIKeyUJVDURMVRHMNSR-OJSJQURBSA-N
XLogP3.10
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(3,4-dimethoxybenzylidene)-2-(4-methyl-1-piperazinyl)-1,3-thiazol-4(5H)-one
CID 1725351
5-(3-Bromo-4-hydroxy-5-methoxybenzylidene)-3-ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 1821182
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-(4-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 2235987
(5Z)-5-(3-ethoxy-4-hydroxybenzylidene)-2-(piperidin-1-yl)-1,3-thiazol-4(5H)-one
CID 917009
(5Z)-5-(3-Ethoxy-4-hydroxybenzylidene)-1,3-thiazolidine-2,4-dione
CID 1379922
(5Z)-5-(3-hydroxy-4-methoxybenzylidene)-2-imino-1,3-thiazolidin-4-one
CID 5851417
5-[(4-Hydroxy-3-methoxyphenyl)methylene]-2-imino-1,3-thiazolidin-4-one
CID 1417812
3-Benzyl-5-(3-ethoxy-4-hydroxy-benzylidene)-2-thioxo-thiazolidin-4-one
CID 1205981
5-(2-Bromo-5-ethoxy-4-hydroxybenzylidene)-3-ethyl-2-(ethylimino)-1,3-thiazolidin-4-one
CID 1778303
(5Z)-3-ethyl-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2145707
[2-Methoxy-4-(3-methyl-2-methylimino-4-oxo-thiazolidin-5-ylidenemethyl)-phenoxy]-acetic acid methyl ester
CID 2720171
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-(3-methylpiperidin-1-yl)-1,3-thiazol-4-one
CID 5857910

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (CID 2143065) is (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(O)c(OCC)c2)C(=O)N1CC.
What is the InChIKey of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is UJVDURMVRHMNSR-OJSJQURBSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-17-16-18(5-2)15(20)14(22-16)10-11-7-8-12(19)13(9-11)21-6-3/h7-10,19H,4-6H2,1-3H3/b14-10-,17-16+.
What are the key properties of (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 320.41 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2143065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).