(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

C14H15NO3S — CID 2186433

IUPAC(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1
InChIInChI=1S/C14H15NO3S/c1-3-15-13(16)12(19-14(15)17)9-10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3/b12-9-
InChIKeyZJCOOJDZFADDHV-XFXZXTDPSA-N
MW277.35 g/mol
LogP3.14
Rot. Bonds4

About (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (PubChem CID 2186433) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
PubChem CID2186433
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Name(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
SMILESCCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1
InChIInChI=1S/C14H15NO3S/c1-3-15-13(16)12(19-14(15)17)9-10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3/b12-9-
InChIKeyZJCOOJDZFADDHV-XFXZXTDPSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione (CID 2186433) is (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is CCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
The InChIKey is ZJCOOJDZFADDHV-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-3-15-13(16)12(19-14(15)17)9-10-5-7-11(8-6-10)18-4-2/h5-9H,3-4H2,1-2H3/b12-9-.
What are the key properties of (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione has a molecular weight of 277.35 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxyphenyl)methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 2186433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).