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

C10H7NO3S — CID 3976608

IUPAC5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=CC=Cc2ccco2)S1
InChIInChI=1S/C10H7NO3S/c12-9-8(15-10(13)11-9)5-1-3-7-4-2-6-14-7/h1-6H,(H,11,12,13)
InChIKeyXKFYQGRJEQOFAV-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.16
Rot. Bonds2

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

5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 3976608) has the molecular formula C10H7NO3S and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
PubChem CID3976608
Molecular FormulaC10H7NO3S
Molecular Weight221.24 g/mol
Exact Mass221.01
IUPAC Name5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=CC=Cc2ccco2)S1
InChIInChI=1S/C10H7NO3S/c12-9-8(15-10(13)11-9)5-1-3-7-4-2-6-14-7/h1-6H,(H,11,12,13)
InChIKeyXKFYQGRJEQOFAV-UHFFFAOYSA-N
XLogP2.16
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5Z)-2-(4-ethylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 136706933
(5Z)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-(4-methoxyphenyl)imino-1,3-thiazolidin-4-one
CID 135467630
2-(2,4-dichlorophenyl)imino-5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135399272
5-[3-(furan-2-yl)prop-2-enylidene]-2-(3-methylphenyl)imino-1,3-thiazolidin-4-one
CID 135485236
5-[3-(furan-2-yl)prop-2-enylidene]-2-naphthalen-2-ylimino-1,3-thiazolidin-4-one
CID 135523586
3-[[(5E)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 135670358
(5Z)-2-(3-acetylphenyl)imino-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidin-4-one
CID 135404607
3-[[5-[3-(furan-2-yl)prop-2-enylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]-4-methylbenzoic acid
CID 135483100
5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 57124689
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
(5E)-3-(3-bromophenyl)-5-[(E)-3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 34889551

Frequently Asked Questions

What is the IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione (CID 3976608) is 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=CC=Cc2ccco2)S1.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is XKFYQGRJEQOFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3S/c12-9-8(15-10(13)11-9)5-1-3-7-4-2-6-14-7/h1-6H,(H,11,12,13).
What are the key properties of 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione?
5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 221.24 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)prop-2-enylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 3976608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).