(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

C15H15NOS2 — CID 2290404

IUPAC(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S
InChIInChI=1S/C15H15NOS2/c1-3-9-16-14(17)13(19-15(16)18)10-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9H2,2H3/b13-10+
InChIKeyGGUDXSKINSZTAS-JLHYYAGUSA-N
MW289.43 g/mol
LogP3.64
Rot. Bonds4

About (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 2290404) has the molecular formula C15H15NOS2 and a molecular weight of 289.43 g/mol. Its IUPAC name is (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID2290404
Molecular FormulaC15H15NOS2
Molecular Weight289.43 g/mol
Exact Mass289.06
IUPAC Name(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESC=CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S
InChIInChI=1S/C15H15NOS2/c1-3-9-16-14(17)13(19-15(16)18)10-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9H2,2H3/b13-10+
InChIKeyGGUDXSKINSZTAS-JLHYYAGUSA-N
XLogP3.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one (CID 2290404) is (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is C=CCN1C(=O)/C(=C\c2ccc(CC)cc2)SC1=S.
What is the InChIKey of (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is GGUDXSKINSZTAS-JLHYYAGUSA-N. The full InChI is InChI=1S/C15H15NOS2/c1-3-9-16-14(17)13(19-15(16)18)10-12-7-5-11(4-2)6-8-12/h3,5-8,10H,1,4,9H2,2H3/b13-10+.
What are the key properties of (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one?
(5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 289.43 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-ethylphenyl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 2290404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).