(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

C19H14F3NO3S3 — CID 153239450

IUPAC(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H14F3NO3S3/c1-29(25,26)14-8-6-12(7-9-14)10-16-17(24)23(18(27)28-16)11-13-4-2-3-5-15(13)19(20,21)22/h2-10H,11H2,1H3/b16-10-
InChIKeyWRDXPAQGROZGEN-YBEGLDIGSA-N
MW457.52 g/mol
LogP4.51
Rot. Bonds4

About (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one

(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (PubChem CID 153239450) has the molecular formula C19H14F3NO3S3 and a molecular weight of 457.52 g/mol. Its IUPAC name is (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
PubChem CID153239450
Molecular FormulaC19H14F3NO3S3
Molecular Weight457.52 g/mol
Exact Mass457.01
IUPAC Name(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one
SMILESCS(=O)(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3C(F)(F)F)C2=O)cc1
InChIInChI=1S/C19H14F3NO3S3/c1-29(25,26)14-8-6-12(7-9-14)10-16-17(24)23(18(27)28-16)11-13-4-2-3-5-15(13)19(20,21)22/h2-10H,11H2,1H3/b16-10-
InChIKeyWRDXPAQGROZGEN-YBEGLDIGSA-N
XLogP4.51
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
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'}

Analyze (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-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-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,3-thiazolidin-4-one
CID 162610684
(5Z)-5-[(3,5-dibromophenyl)methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 51347297
(5Z)-3-ethyl-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2256447
(5Z)-3-benzyl-5-[(4-tert-butylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6376656
3-benzyl-5-[(4-ethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2914071
[4-[(Z)-(3-benzyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-methylbenzenesulfonate
CID 2272196
3-benzyl-5-[(4-phenylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4196119
5-benzylidene-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1322560
(5Z)-5-[[4-(morpholine-4-carbonyl)phenyl]methylidene]-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 46074015
3-(2-hydroxyethyl)-2-sulfanylidene-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 71832942
3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 1325776
(5Z)-3-prop-2-enyl-2-sulfanylidene-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 2293566

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one (CID 153239450) is (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is CS(=O)(=O)c1ccc(/C=C2\SC(=S)N(Cc3ccccc3C(F)(F)F)C2=O)cc1.
What is the InChIKey of (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
The InChIKey is WRDXPAQGROZGEN-YBEGLDIGSA-N. The full InChI is InChI=1S/C19H14F3NO3S3/c1-29(25,26)14-8-6-12(7-9-14)10-16-17(24)23(18(27)28-16)11-13-4-2-3-5-15(13)19(20,21)22/h2-10H,11H2,1H3/b16-10-.
What are the key properties of (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one?
(5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one has a molecular weight of 457.52 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methylsulfonylphenyl)methylidene]-2-sulfanylidene-3-[[2-(trifluoromethyl)phenyl]methyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 153239450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).