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

C13H10F3NO4S — CID 25189319

IUPAC(5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCOc1c(/C=C2\SC(=O)NC2=O)cccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO4S/c1-20-6-21-10-7(3-2-4-8(10)13(14,15)16)5-9-11(18)17-12(19)22-9/h2-5H,6H2,1H3,(H,17,18,19)/b9-5-
InChIKeyMZSVGOACCCDXKW-UITAMQMPSA-N
MW333.29 g/mol
LogP3.01
Rot. Bonds4

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

(5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 25189319) has the molecular formula C13H10F3NO4S and a molecular weight of 333.29 g/mol. Its IUPAC name is (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID25189319
Molecular FormulaC13H10F3NO4S
Molecular Weight333.29 g/mol
Exact Mass333.03
IUPAC Name(5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESCOCOc1c(/C=C2\SC(=O)NC2=O)cccc1C(F)(F)F
InChIInChI=1S/C13H10F3NO4S/c1-20-6-21-10-7(3-2-4-8(10)13(14,15)16)5-9-11(18)17-12(19)22-9/h2-5H,6H2,1H3,(H,17,18,19)/b9-5-
InChIKeyMZSVGOACCCDXKW-UITAMQMPSA-N
XLogP3.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 25189319) is (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is COCOc1c(/C=C2\SC(=O)NC2=O)cccc1C(F)(F)F.
What is the InChIKey of (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is MZSVGOACCCDXKW-UITAMQMPSA-N. The full InChI is InChI=1S/C13H10F3NO4S/c1-20-6-21-10-7(3-2-4-8(10)13(14,15)16)5-9-11(18)17-12(19)22-9/h2-5H,6H2,1H3,(H,17,18,19)/b9-5-.
What are the key properties of (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 333.29 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[2-(methoxymethoxy)-3-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 25189319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).