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

C18H14FNO4S — CID 87178431

IUPAC(5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCC(O)c3cccc(F)c3)cc2)S1
InChIInChI=1S/C18H14FNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-9,15,21H,10H2,(H,20,22,23)/b16-8+
InChIKeyUZDBUHARNHZKSR-LZYBPNLTSA-N
MW359.38 g/mol
LogP3.26
Rot. Bonds5

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

(5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 87178431) has the molecular formula C18H14FNO4S and a molecular weight of 359.38 g/mol. Its IUPAC name is (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID87178431
Molecular FormulaC18H14FNO4S
Molecular Weight359.38 g/mol
Exact Mass359.06
IUPAC Name(5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(OCC(O)c3cccc(F)c3)cc2)S1
InChIInChI=1S/C18H14FNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-9,15,21H,10H2,(H,20,22,23)/b16-8+
InChIKeyUZDBUHARNHZKSR-LZYBPNLTSA-N
XLogP3.26
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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 (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione (CID 87178431) is (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(OCC(O)c3cccc(F)c3)cc2)S1.
What is the InChIKey of (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is UZDBUHARNHZKSR-LZYBPNLTSA-N. The full InChI is InChI=1S/C18H14FNO4S/c19-13-3-1-2-12(9-13)15(21)10-24-14-6-4-11(5-7-14)8-16-17(22)20-18(23)25-16/h1-9,15,21H,10H2,(H,20,22,23)/b16-8+.
What are the key properties of (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 359.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[[4-[2-(3-fluorophenyl)-2-hydroxyethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 87178431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).