5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C19H17NO2S2 — CID 86623145

IUPAC5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)c1ccccc1Oc1ccc(C=C2SC(=S)NC2=O)cc1
InChIInChI=1S/C19H17NO2S2/c1-12(2)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)11-17-18(21)20-19(23)24-17/h3-12H,1-2H3,(H,20,21,23)
InChIKeyWZAGUFKRNPISSZ-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.09
Rot. Bonds4

About 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 86623145) has the molecular formula C19H17NO2S2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID86623145
Molecular FormulaC19H17NO2S2
Molecular Weight355.48 g/mol
Exact Mass355.07
IUPAC Name5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCC(C)c1ccccc1Oc1ccc(C=C2SC(=S)NC2=O)cc1
InChIInChI=1S/C19H17NO2S2/c1-12(2)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)11-17-18(21)20-19(23)24-17/h3-12H,1-2H3,(H,20,21,23)
InChIKeyWZAGUFKRNPISSZ-UHFFFAOYSA-N
XLogP5.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.09
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'}

Analyze 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-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)-5-[[4-[(2R)-2-methyl-3-phenoxypropoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1344651
(5Z)-5-benzylidene-2-sulfanylidene-1,3-thiazolidin-4-one
CID 139059666
(5E)-5-[[4-[(2S)-butan-2-yl]oxyphenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126345784
5-[[4-[3-(2-methoxyphenoxy)propoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2906659
(5E)-5-[[4-(3-methylbutoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 19201262
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] acetate
CID 1353629
[4-[(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] benzoate
CID 3521372
(5Z)-5-[[4-hydroxy-3,5-di(propan-2-yl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 10663585
(5E)-5-[[4-[2-(4-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277906
4-[(E)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzaldehyde
CID 6993416
(5E)-5-[[4-[2-[4-[(2S)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2277541

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 86623145) is 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CC(C)c1ccccc1Oc1ccc(C=C2SC(=S)NC2=O)cc1.
What is the InChIKey of 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is WZAGUFKRNPISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S2/c1-12(2)15-5-3-4-6-16(15)22-14-9-7-13(8-10-14)11-17-18(21)20-19(23)24-17/h3-12H,1-2H3,(H,20,21,23).
What are the key properties of 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 355.48 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-propan-2-ylphenoxy)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 86623145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).