(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one

C17H11FN4O2S — CID 135450278

IUPAC(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2nnc(-c3ccc(F)cc3)o2)SC1c1ccccc1
InChIInChI=1S/C17H11FN4O2S/c18-12-8-6-11(7-9-12)15-21-22-16(24-15)20-17-19-14(23)13(25-17)10-4-2-1-3-5-10/h1-9,13H,(H,19,20,22,23)
InChIKeyWOOLGDVOKSJPOA-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.47
Rot. Bonds3

About (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one

(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one (PubChem CID 135450278) has the molecular formula C17H11FN4O2S and a molecular weight of 354.37 g/mol. Its IUPAC name is (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one
PubChem CID135450278
Molecular FormulaC17H11FN4O2S
Molecular Weight354.37 g/mol
Exact Mass354.06
IUPAC Name(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N\c2nnc(-c3ccc(F)cc3)o2)SC1c1ccccc1
InChIInChI=1S/C17H11FN4O2S/c18-12-8-6-11(7-9-12)15-21-22-16(24-15)20-17-19-14(23)13(25-17)10-4-2-1-3-5-10/h1-9,13H,(H,19,20,22,23)
InChIKeyWOOLGDVOKSJPOA-UHFFFAOYSA-N
XLogP3.47
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one (CID 135450278) is (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one is O=C1N/C(=N\c2nnc(-c3ccc(F)cc3)o2)SC1c1ccccc1.
What is the InChIKey of (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one?
The InChIKey is WOOLGDVOKSJPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4O2S/c18-12-8-6-11(7-9-12)15-21-22-16(24-15)20-17-19-14(23)13(25-17)10-4-2-1-3-5-10/h1-9,13H,(H,19,20,22,23).
What are the key properties of (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one?
(2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one has a molecular weight of 354.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-phenyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 135450278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).