(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

C15H18N2O5S — CID 126154946

IUPAC(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-20-7-6-17-14(18)12(23-15(17)19)10-11-2-3-13(22-11)16-4-8-21-9-5-16/h2-3,10H,4-9H2,1H3/b12-10+
InChIKeyZJZNULYPXKZGOZ-ZRDIBKRKSA-N
MW338.39 g/mol
LogP1.80
Rot. Bonds5

About (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 126154946) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID126154946
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O
InChIInChI=1S/C15H18N2O5S/c1-20-7-6-17-14(18)12(23-15(17)19)10-11-2-3-13(22-11)16-4-8-21-9-5-16/h2-3,10H,4-9H2,1H3/b12-10+
InChIKeyZJZNULYPXKZGOZ-ZRDIBKRKSA-N
XLogP1.80
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
CID 2287168
(5E)-5-[(5-bromofuran-2-yl)methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126128982
(5E)-3-[(2R)-butan-2-yl]-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 5455496
(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19131294
(5E)-5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126130635
4-[5-[(E)-[3-(2-methoxyethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoic acid
CID 126130704
N-(3,4-dimethylphenyl)-2-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 2261440
N-(2,4-dimethylphenyl)-2-[(5Z)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetamide
CID 126020113
(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6378534
(5Z)-3-ethyl-2-(4-methoxyphenyl)imino-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 126015539
4-[(5E)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
CID 2035540
(5Z)-5-[[5-(2,4-dichlorophenyl)furan-2-yl]methylidene]-3-(2-methoxyethyl)-1,3-thiazolidine-2,4-dione
CID 126155516

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 126154946) is (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is COCCN1C(=O)S/C(=C/c2ccc(N3CCOCC3)o2)C1=O.
What is the InChIKey of (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is ZJZNULYPXKZGOZ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-20-7-6-17-14(18)12(23-15(17)19)10-11-2-3-13(22-11)16-4-8-21-9-5-16/h2-3,10H,4-9H2,1H3/b12-10+.
What are the key properties of (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 338.39 g/mol, XLogP of 1.80, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(2-methoxyethyl)-5-[(5-morpholin-4-ylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126154946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).