(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

C21H24N4O4S2 — CID 5291668

IUPAC(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OCCN3CCOCC3)c(OCC)c2)C(=O)N1c1nccs1
InChIInChI=1S/C21H24N4O4S2/c1-2-28-17-13-15(3-4-16(17)29-11-8-24-6-9-27-10-7-24)14-18-19(26)25(20(22)31-18)21-23-5-12-30-21/h3-5,12-14,22H,2,6-11H2,1H3/b18-14-,22-20-
InChIKeyWHLGNMPSQJSTAT-JHRGVAJVSA-N
MW460.58 g/mol
LogP3.31
Rot. Bonds8

About (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one

(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (PubChem CID 5291668) has the molecular formula C21H24N4O4S2 and a molecular weight of 460.58 g/mol. Its IUPAC name is (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
PubChem CID5291668
Molecular FormulaC21H24N4O4S2
Molecular Weight460.58 g/mol
Exact Mass460.12
IUPAC Name(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
SMILES[H]/N=C1\S/C(=C\c2ccc(OCCN3CCOCC3)c(OCC)c2)C(=O)N1c1nccs1
InChIInChI=1S/C21H24N4O4S2/c1-2-28-17-13-15(3-4-16(17)29-11-8-24-6-9-27-10-7-24)14-18-19(26)25(20(22)31-18)21-23-5-12-30-21/h3-5,12-14,22H,2,6-11H2,1H3/b18-14-,22-20-
InChIKeyWHLGNMPSQJSTAT-JHRGVAJVSA-N
XLogP3.31
TPSA87.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one (CID 5291668) is (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is [H]/N=C1\S/C(=C\c2ccc(OCCN3CCOCC3)c(OCC)c2)C(=O)N1c1nccs1.
What is the InChIKey of (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is WHLGNMPSQJSTAT-JHRGVAJVSA-N. The full InChI is InChI=1S/C21H24N4O4S2/c1-2-28-17-13-15(3-4-16(17)29-11-8-24-6-9-27-10-7-24)14-18-19(26)25(20(22)31-18)21-23-5-12-30-21/h3-5,12-14,22H,2,6-11H2,1H3/b18-14-,22-20-.
What are the key properties of (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one?
(5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 460.58 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]methylidene]-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 5291668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).