(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

C19H14F3NO4S — CID 162645193

IUPAC(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)ccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO4S/c1-26-15-8-11(9-16-17(24)23-18(25)28-16)2-3-12(15)10-27-14-6-4-13(5-7-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,24,25)/b16-9-
InChIKeyQWMCMTYHOHEFMD-SXGWCWSVSA-N
MW409.39 g/mol
LogP4.62
Rot. Bonds5

About (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 162645193) has the molecular formula C19H14F3NO4S and a molecular weight of 409.39 g/mol. Its IUPAC name is (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID162645193
Molecular FormulaC19H14F3NO4S
Molecular Weight409.39 g/mol
Exact Mass409.06
IUPAC Name(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(/C=C2\SC(=O)NC2=O)ccc1COc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C19H14F3NO4S/c1-26-15-8-11(9-16-17(24)23-18(25)28-16)2-3-12(15)10-27-14-6-4-13(5-7-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,24,25)/b16-9-
InChIKeyQWMCMTYHOHEFMD-SXGWCWSVSA-N
XLogP4.62
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione with MolForge

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Related Compounds

(5E)-5-[4-(benzyloxy)benzylidene]-1,3-thiazolidine-2,4-dione
CID 5751075
5-(3-Phenoxybenzylidene)thiazolidine-2,4-dione
CID 1350369
(Z)-5-(4-ethoxybenzylidene)thiazolidine-2,4-dione
CID 5878179
(5Z)-5-[(4-propoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
CID 6076476
(5Z)-5-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25185171
(5Z)-5-{[2-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]methylidene}-1,3-thiazolidine-2,4-dione
CID 25189321
4-(4-((2,4-Dioxothiazolidin-5-ylidene)methyl)-2-methoxyphenoxy)-3-(trifluoromethyl)benzonitrile
CID 46916268
5-{3-[3-(2-Methoxyphenoxy)propoxy]benzylidene}-1,3-thiazolidine-2,4-dione
CID 2226770
5-{[3-(Benzyloxy)phenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1358229
(5Z)-5-{4-[(4-methylbenzyl)oxy]benzylidene}-1,3-thiazolidine-2,4-dione
CID 1912744
(5E)-5-[[4-[3-(4-ethylphenoxy)propoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 2230683
(Z)-5-((2''-(trifluoromethoxy)biphenyl-3-yl)methylene)thiazolidine-2,4-dione
CID 10021733

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 162645193) is (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(/C=C2\SC(=O)NC2=O)ccc1COc1ccc(C(F)(F)F)cc1.
What is the InChIKey of (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QWMCMTYHOHEFMD-SXGWCWSVSA-N. The full InChI is InChI=1S/C19H14F3NO4S/c1-26-15-8-11(9-16-17(24)23-18(25)28-16)2-3-12(15)10-27-14-6-4-13(5-7-14)19(20,21)22/h2-9H,10H2,1H3,(H,23,24,25)/b16-9-.
What are the key properties of (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 409.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[3-methoxy-4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 162645193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).