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

C17H22N2O3S — CID 2143051

IUPAC(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CC
InChIInChI=1S/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(22-7-3)14(10-12)21-4/h8-11H,5-7H2,1-4H3/b15-11-,18-17+
InChIKeyBQUSWPRZNCNLHE-XVZOTVTFSA-N
MW334.44 g/mol
LogP3.41
Rot. Bonds6

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

(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (PubChem CID 2143051) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
PubChem CID2143051
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one
SMILESCC/N=C1/S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CC
InChIInChI=1S/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(22-7-3)14(10-12)21-4/h8-11H,5-7H2,1-4H3/b15-11-,18-17+
InChIKeyBQUSWPRZNCNLHE-XVZOTVTFSA-N
XLogP3.41
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 53.41
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one (CID 2143051) is (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is CC/N=C1/S/C(=C\c2ccc(OCC)c(OC)c2)C(=O)N1CC.
What is the InChIKey of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
The InChIKey is BQUSWPRZNCNLHE-XVZOTVTFSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-5-18-17-19(6-2)16(20)15(23-17)11-12-8-9-13(22-7-3)14(10-12)21-4/h8-11H,5-7H2,1-4H3/b15-11-,18-17+.
What are the key properties of (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one?
(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one has a molecular weight of 334.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-3-ethyl-2-ethylimino-1,3-thiazolidin-4-one is sourced from PubChem (CID 2143051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).