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

C12H9N3O2S2 — CID 19618235

IUPAC(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H9N3O2S2/c16-11-10(19-12(18)14-11)6-8-2-3-9(17-8)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16,18)/b10-6-
InChIKeyKEEYBQGWJLCRNJ-POHAHGRESA-N
MW291.36 g/mol
LogP2.01
Rot. Bonds3

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

(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 19618235) has the molecular formula C12H9N3O2S2 and a molecular weight of 291.36 g/mol. Its IUPAC name is (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID19618235
Molecular FormulaC12H9N3O2S2
Molecular Weight291.36 g/mol
Exact Mass291.01
IUPAC Name(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1ccc(Cn2cccn2)o1
InChIInChI=1S/C12H9N3O2S2/c16-11-10(19-12(18)14-11)6-8-2-3-9(17-8)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16,18)/b10-6-
InChIKeyKEEYBQGWJLCRNJ-POHAHGRESA-N
XLogP2.01
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(5E)-5-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1268563
(5Z)-5-[[5-(dimethylamino)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 124637942
(5E)-5-[[5-(3-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1369930
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
(5Z)-5-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 9247243
5-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]isoindole-1,3-dione
CID 1270528
(5Z)-5-[(1-methylimidazol-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 164611061
(5E)-5-[[6-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-2-pyridinyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54603528
3-[5-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-N-piperidin-1-ylbenzamide
CID 75303796
5-[5-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzene-1,3-dicarboxylic acid
CID 6210283
4-[5-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]benzenesulfonic acid
CID 18530533
(5Z)-2-sulfanylidene-5-[[5-[3-(trifluoromethyl)phenyl]sulfanylfuran-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 10150584

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 19618235) is (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1ccc(Cn2cccn2)o1.
What is the InChIKey of (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is KEEYBQGWJLCRNJ-POHAHGRESA-N. The full InChI is InChI=1S/C12H9N3O2S2/c16-11-10(19-12(18)14-11)6-8-2-3-9(17-8)7-15-5-1-4-13-15/h1-6H,7H2,(H,14,16,18)/b10-6-.
What are the key properties of (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 291.36 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[5-(pyrazol-1-ylmethyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 19618235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).