(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H10N2O2S2 — CID 124637942

IUPAC(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\SC(=S)NC2=O)o1
InChIInChI=1S/C10H10N2O2S2/c1-12(2)8-4-3-6(14-8)5-7-9(13)11-10(15)16-7/h3-5H,1-2H3,(H,11,13,15)/b7-5-
InChIKeyQJSAYUUXNPJSDA-ALCCZGGFSA-N
MW254.34 g/mol
LogP1.83
Rot. Bonds2

About (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 124637942) has the molecular formula C10H10N2O2S2 and a molecular weight of 254.34 g/mol. Its IUPAC name is (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID124637942
Molecular FormulaC10H10N2O2S2
Molecular Weight254.34 g/mol
Exact Mass254.02
IUPAC Name(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCN(C)c1ccc(/C=C2\SC(=S)NC2=O)o1
InChIInChI=1S/C10H10N2O2S2/c1-12(2)8-4-3-6(14-8)5-7-9(13)11-10(15)16-7/h3-5H,1-2H3,(H,11,13,15)/b7-5-
InChIKeyQJSAYUUXNPJSDA-ALCCZGGFSA-N
XLogP1.83
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(5E)-5-[(5-phenylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1380155
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
(5Z)-5-[(5-nitrofuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1381456
5-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]isoindole-1,3-dione
CID 1270528
(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268563
4-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonic acid
CID 18530533
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
5-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 6210283
2-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]anthracene-9,10-dione
CID 21214291
(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19618235
5-[[5-(dimethylamino)furan-2-yl]methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 131854156

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 124637942) is (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CN(C)c1ccc(/C=C2\SC(=S)NC2=O)o1.
What is the InChIKey of (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QJSAYUUXNPJSDA-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H10N2O2S2/c1-12(2)8-4-3-6(14-8)5-7-9(13)11-10(15)16-7/h3-5H,1-2H3,(H,11,13,15)/b7-5-.
What are the key properties of (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 254.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 124637942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).