(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

C13H16N2OS2 — CID 5292774

IUPAC(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2sccc2C)C(=O)N1CC
InChIInChI=1S/C13H16N2OS2/c1-4-14-13-15(5-2)12(16)11(18-13)8-10-9(3)6-7-17-10/h6-8H,4-5H2,1-3H3/b11-8+,14-13-
InChIKeyCVEYKPVCEMYTOR-SOAFUOFCSA-N
MW280.42 g/mol
LogP3.37
Rot. Bonds3

About (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 5292774) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
PubChem CID5292774
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC Name(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
SMILESCC/N=C1\S/C(=C/c2sccc2C)C(=O)N1CC
InChIInChI=1S/C13H16N2OS2/c1-4-14-13-15(5-2)12(16)11(18-13)8-10-9(3)6-7-17-10/h6-8H,4-5H2,1-3H3/b11-8+,14-13-
InChIKeyCVEYKPVCEMYTOR-SOAFUOFCSA-N
XLogP3.37
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(E)-2-(4-acetylpiperazin-1-yl)-5-(thiophen-2-ylmethylene)thiazol-4(5H)-one
CID 1586676
(2Z,5Z)-3-ethyl-2-(ethylimino)-5-[(3-methylthien-2-yl)methylene]-1,3-thiazolidin-4-one
CID 5955327
2-Imino-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazolidin-4-one
CID 1224851
5-[(3-methyl-2-thienyl)methylene]-2-(4-morpholinyl)-1,3-thiazol-4(5H)-one
CID 701648
(2Z)-2-[(5-methylthiophen-2-yl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 71699610
N-{(2E,5Z)-5-[(3-methylthiophen-2-yl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene}acetamide
CID 1227506
5-(3-Methyl-thiophen-2-ylmethylene)-2-morpholin-4-yl-thiazol-4-one
CID 701646
(5Z)-2-imino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 146674278
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-piperidin-1-yl-1,3-thiazol-4-one
CID 701623
(5Z)-5-[(3-methylthiophen-2-yl)methylidene]-2-(pyrrolidin-1-yl)-1,3-thiazol-4(5H)-one
CID 704685
(2E,5Z)-3-methyl-2-(methylimino)-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 1254723
(5Z)-2-(4-methylpiperazin-1-yl)-5-(thiophen-2-ylmethylidene)-1,3-thiazol-4-one
CID 2716862

Frequently Asked Questions

What is the IUPAC name of (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one (CID 5292774) is (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is CC/N=C1\S/C(=C/c2sccc2C)C(=O)N1CC.
What is the InChIKey of (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is CVEYKPVCEMYTOR-SOAFUOFCSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-4-14-13-15(5-2)12(16)11(18-13)8-10-9(3)6-7-17-10/h6-8H,4-5H2,1-3H3/b11-8+,14-13-.
What are the key properties of (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one?
(5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 280.42 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-ethyl-2-ethylimino-5-[(3-methylthiophen-2-yl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 5292774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).