(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C17H15NO2S2 — CID 8881643

IUPAC(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2c(CC)oc3ccccc23)SC1=S
InChIInChI=1S/C17H15NO2S2/c1-3-9-18-16(19)15(22-17(18)21)10-12-11-7-5-6-8-14(11)20-13(12)4-2/h3,5-8,10H,1,4,9H2,2H3/b15-10-
InChIKeyWTJNSIONMGIIDD-GDNBJRDFSA-N
MW329.45 g/mol
LogP4.38
Rot. Bonds4

About (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 8881643) has the molecular formula C17H15NO2S2 and a molecular weight of 329.45 g/mol. Its IUPAC name is (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID8881643
Molecular FormulaC17H15NO2S2
Molecular Weight329.45 g/mol
Exact Mass329.05
IUPAC Name(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C/c2c(CC)oc3ccccc23)SC1=S
InChIInChI=1S/C17H15NO2S2/c1-3-9-18-16(19)15(22-17(18)21)10-12-11-7-5-6-8-14(11)20-13(12)4-2/h3,5-8,10H,1,4,9H2,2H3/b15-10-
InChIKeyWTJNSIONMGIIDD-GDNBJRDFSA-N
XLogP4.38
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-5-[(2-bromophenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7032791
(5Z)-5-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 40722890
5-[(1-methyl-2-oxo-4-piperidin-1-ylquinolin-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3430273
(5Z)-5-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126345887
5-[[4-(N-methylanilino)phenyl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2913987
3-prop-2-enyl-5-prop-2-enylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 57127546
(5E)-5-[(5-phenylthiophen-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9252281
(5Z)-3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2293566
3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 1325776
(5Z)-3-[(4-methylphenyl)methyl]-5-[(2-methyl-1-prop-2-enylindol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126059594
(5E)-5-[[1-[(4-methylphenyl)methyl]indol-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50873333
(5Z)-5-[[5-[(1R,2R)-2-methylcyclopropyl]furan-2-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9247270

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 8881643) is (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C/c2c(CC)oc3ccccc23)SC1=S.
What is the InChIKey of (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WTJNSIONMGIIDD-GDNBJRDFSA-N. The full InChI is InChI=1S/C17H15NO2S2/c1-3-9-18-16(19)15(22-17(18)21)10-12-11-7-5-6-8-14(11)20-13(12)4-2/h3,5-8,10H,1,4,9H2,2H3/b15-10-.
What are the key properties of (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 329.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(2-ethyl-1-benzofuran-3-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 8881643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).