(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione

C14H15NO4S — CID 126241743

IUPAC(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C14H15NO4S/c1-18-9-4-8-15-13(16)12(20-14(15)17)7-2-5-11-6-3-10-19-11/h2-3,5-7,10H,4,8-9H2,1H3/b5-2+,12-7+
InChIKeyCBRUERXWQFJURL-CHEDICDHSA-N
MW293.34 g/mol
LogP2.91
Rot. Bonds6

About (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione

(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (PubChem CID 126241743) has the molecular formula C14H15NO4S and a molecular weight of 293.34 g/mol. Its IUPAC name is (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
PubChem CID126241743
Molecular FormulaC14H15NO4S
Molecular Weight293.34 g/mol
Exact Mass293.07
IUPAC Name(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione
SMILESCOCCCN1C(=O)S/C(=C/C=C/c2ccco2)C1=O
InChIInChI=1S/C14H15NO4S/c1-18-9-4-8-15-13(16)12(20-14(15)17)7-2-5-11-6-3-10-19-11/h2-3,5-7,10H,4,8-9H2,1H3/b5-2+,12-7+
InChIKeyCBRUERXWQFJURL-CHEDICDHSA-N
XLogP2.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 1279205
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(4-methoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 6388341
6-[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 3723763
(5E)-3-(2-ethylphenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
CID 18836923
3-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
CID 6378215
(5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18880378
3-(furan-2-ylmethyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1318685
5-[3-(furan-2-yl)prop-2-enylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 5051464
ethyl (2S)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023175
ethyl (2R)-2-[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
CID 126023176
4-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]butanoic acid
CID 5088414
7-[5-(furan-2-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]heptanoic acid
CID 175559743

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione (CID 126241743) is (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is COCCCN1C(=O)S/C(=C/C=C/c2ccco2)C1=O.
What is the InChIKey of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
The InChIKey is CBRUERXWQFJURL-CHEDICDHSA-N. The full InChI is InChI=1S/C14H15NO4S/c1-18-9-4-8-15-13(16)12(20-14(15)17)7-2-5-11-6-3-10-19-11/h2-3,5-7,10H,4,8-9H2,1H3/b5-2+,12-7+.
What are the key properties of (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione?
(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione has a molecular weight of 293.34 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-3-(3-methoxypropyl)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 126241743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).