(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

C16H14FN3OS2 — CID 127050467

IUPAC(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c1-11(14-7-4-8-22-14)18-19-16-20(15(21)10-23-16)9-12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3/b18-11+,19-16-
InChIKeyTWSQVSUUXDMWJA-DZKKHAQYSA-N
MW347.44 g/mol
LogP3.74
Rot. Bonds4

About (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one

(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 127050467) has the molecular formula C16H14FN3OS2 and a molecular weight of 347.44 g/mol. Its IUPAC name is (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID127050467
Molecular FormulaC16H14FN3OS2
Molecular Weight347.44 g/mol
Exact Mass347.06
IUPAC Name(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESC/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1cccs1
InChIInChI=1S/C16H14FN3OS2/c1-11(14-7-4-8-22-14)18-19-16-20(15(21)10-23-16)9-12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3/b18-11+,19-16-
InChIKeyTWSQVSUUXDMWJA-DZKKHAQYSA-N
XLogP3.74
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 127050467) is (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is C/C(=N\N=C1/SCC(=O)N1Cc1ccccc1F)c1cccs1.
What is the InChIKey of (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is TWSQVSUUXDMWJA-DZKKHAQYSA-N. The full InChI is InChI=1S/C16H14FN3OS2/c1-11(14-7-4-8-22-14)18-19-16-20(15(21)10-23-16)9-12-5-2-3-6-13(12)17/h2-8H,9-10H2,1H3/b18-11+,19-16-.
What are the key properties of (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 347.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-[(2-fluorophenyl)methyl]-2-[(E)-1-thiophen-2-ylethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 127050467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).