5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C11H9NO2S2 — CID 4059638

IUPAC5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C=CC=C2SC(=S)NC2=O)o1
InChIInChI=1S/C11H9NO2S2/c1-7-5-6-8(14-7)3-2-4-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
InChIKeyXKIQTRSSSYMPBI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds2

About 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 4059638) has the molecular formula C11H9NO2S2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID4059638
Molecular FormulaC11H9NO2S2
Molecular Weight251.33 g/mol
Exact Mass251.01
IUPAC Name5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCc1ccc(C=CC=C2SC(=S)NC2=O)o1
InChIInChI=1S/C11H9NO2S2/c1-7-5-6-8(14-7)3-2-4-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15)
InChIKeyXKIQTRSSSYMPBI-UHFFFAOYSA-N
XLogP2.63
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5Z)-5-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9247243
(5Z)-5-[(E)-3-(2-chlorothiophen-3-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 14113873
(5Z)-5-[(E)-3-(4-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1377409
5-[(5-methylfuran-2-yl)methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 2886693
(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124637942
(5E)-5-[(E)-3-(3-nitrophenyl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354293
2-imino-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 155899188
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
[2-[(E,3Z)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)prop-1-enyl]phenyl] benzoate
CID 71558614
(5E)-5-propylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7326611
(5E)-5-[(E)-3-[2-[(2-methoxyphenyl)methoxy]phenyl]prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 154701785
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 4059638) is 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is Cc1ccc(C=CC=C2SC(=S)NC2=O)o1.
What is the InChIKey of 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is XKIQTRSSSYMPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S2/c1-7-5-6-8(14-7)3-2-4-9-10(13)12-11(15)16-9/h2-6H,1H3,(H,12,13,15).
What are the key properties of 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(5-methylfuran-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 4059638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).