5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

C20H13F6NO4S — CID 123423275

IUPAC5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1C=C1SC(=O)NC1=O
InChIInChI=1S/C20H13F6NO4S/c1-30-15-8-13(5-3-10(15)6-16-17(28)27-18(29)32-16)31-9-11-2-4-12(19(21,22)23)7-14(11)20(24,25)26/h2-8H,9H2,1H3,(H,27,28,29)
InChIKeyGRZOPEDGNQBSLP-UHFFFAOYSA-N
MW477.38 g/mol
LogP5.64
Rot. Bonds5

About 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 123423275) has the molecular formula C20H13F6NO4S and a molecular weight of 477.38 g/mol. Its IUPAC name is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID123423275
Molecular FormulaC20H13F6NO4S
Molecular Weight477.38 g/mol
Exact Mass477.05
IUPAC Name5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1C=C1SC(=O)NC1=O
InChIInChI=1S/C20H13F6NO4S/c1-30-15-8-13(5-3-10(15)6-16-17(28)27-18(29)32-16)31-9-11-2-4-12(19(21,22)23)7-14(11)20(24,25)26/h2-8H,9H2,1H3,(H,27,28,29)
InChIKeyGRZOPEDGNQBSLP-UHFFFAOYSA-N
XLogP5.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.38
LogP ≤ 55.64
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 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione 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

5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 87352883
(5Z)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-chlorophenyl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 87424573
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-2-morpholin-4-yl-1,3-thiazol-4-one
CID 87866123
(5Z)-5-[[2,4-bis[(4-fluorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56679983
2-[2-chloro-5-(trifluoromethyl)phenyl]imino-5-[(2,4-dimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135486776
methyl 2-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-5-[(4-methylimino-2-oxo-1,3-thiazolidin-5-ylidene)methyl]benzoate
CID 137092047
(5Z)-5-[[4-[(4-fluorophenyl)methoxy]-2-phenylmethoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 56662949
5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 73473968
(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indol-3-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973399
(5Z)-5-[[1-[[2,4-bis(trifluoromethyl)phenyl]methyl]indol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 18973349
2-[5-[(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 86759439
(5E)-5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methoxyphenyl]methylidene]-2-pyrrolidin-1-yl-1,3-thiazol-4-one
CID 11598996

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 123423275) is 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is COc1cc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)ccc1C=C1SC(=O)NC1=O.
What is the InChIKey of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GRZOPEDGNQBSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F6NO4S/c1-30-15-8-13(5-3-10(15)6-16-17(28)27-18(29)32-16)31-9-11-2-4-12(19(21,22)23)7-14(11)20(24,25)26/h2-8H,9H2,1H3,(H,27,28,29).
What are the key properties of 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione?
5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 477.38 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-2-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 123423275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).