5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one

C10H7NO2S2 — CID 155163574

IUPAC5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccccc2)SC(=S)N1O
InChIInChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11(9)13)6-7-4-2-1-3-5-7/h1-6,13H
InChIKeyFUPAIFZGLYMMKN-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.28
Rot. Bonds1

About 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one

5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 155163574) has the molecular formula C10H7NO2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID155163574
Molecular FormulaC10H7NO2S2
Molecular Weight237.31 g/mol
Exact Mass236.99
IUPAC Name5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1C(=Cc2ccccc2)SC(=S)N1O
InChIInChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11(9)13)6-7-4-2-1-3-5-7/h1-6,13H
InChIKeyFUPAIFZGLYMMKN-UHFFFAOYSA-N
XLogP2.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one 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)-3-amino-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1269456
(5Z)-5-benzylidene-3-(hydroxymethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2244682
5-benzylidene-3-(dimethylamino)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 54316741
5-benzylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1322560
(5E)-5-benzylidene-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6343966
(5Z)-5-benzylidene-3-naphthalen-1-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 122714055
(5E)-5-benzylidene-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6380054
5-benzylidene-3-(2-ethylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4514260
5-benzylidene-3-(diethylaminomethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
CID 171132197
2-[(5E)-4-oxo-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 2648223
5-[(4-fluorophenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1230094
(5E)-3-tert-butyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 50872477

Frequently Asked Questions

What is the IUPAC name of 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one (CID 155163574) is 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1C(=Cc2ccccc2)SC(=S)N1O.
What is the InChIKey of 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is FUPAIFZGLYMMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S2/c12-9-8(15-10(14)11(9)13)6-7-4-2-1-3-5-7/h1-6,13H.
What are the key properties of 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one?
5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 237.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylidene-3-hydroxy-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 155163574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).