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

C18H13FN2O3S — CID 88564080

IUPAC(5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILES[H]/N=C(/COc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O3S/c19-13-3-1-2-12(9-13)15(20)10-24-14-6-4-11(5-7-14)8-16-17(22)21-18(23)25-16/h1-9,20H,10H2,(H,21,22,23)/b16-8-,20-15-
InChIKeyGGBLKKTZTPXUAT-SNKDOTLJSA-N
MW356.38 g/mol
LogP3.60
Rot. Bonds5

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

(5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 88564080) has the molecular formula C18H13FN2O3S and a molecular weight of 356.38 g/mol. Its IUPAC name is (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID88564080
Molecular FormulaC18H13FN2O3S
Molecular Weight356.38 g/mol
Exact Mass356.06
IUPAC Name(5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILES[H]/N=C(/COc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1cccc(F)c1
InChIInChI=1S/C18H13FN2O3S/c19-13-3-1-2-12(9-13)15(20)10-24-14-6-4-11(5-7-14)8-16-17(22)21-18(23)25-16/h1-9,20H,10H2,(H,21,22,23)/b16-8-,20-15-
InChIKeyGGBLKKTZTPXUAT-SNKDOTLJSA-N
XLogP3.60
TPSA79.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 88564080) is (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is [H]/N=C(/COc1ccc(/C=C2\SC(=O)NC2=O)cc1)c1cccc(F)c1.
What is the InChIKey of (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is GGBLKKTZTPXUAT-SNKDOTLJSA-N. The full InChI is InChI=1S/C18H13FN2O3S/c19-13-3-1-2-12(9-13)15(20)10-24-14-6-4-11(5-7-14)8-16-17(22)21-18(23)25-16/h1-9,20H,10H2,(H,21,22,23)/b16-8-,20-15-.
What are the key properties of (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 356.38 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[4-[2-(3-fluorophenyl)-2-iminoethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 88564080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).