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

C15H12FN3OS2 — CID 6877766

IUPAC(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cccs2)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS2/c16-12-5-3-11(4-6-12)9-19-14(20)10-22-15(19)18-17-8-13-2-1-7-21-13/h1-8H,9-10H2/b17-8+,18-15+
InChIKeyBPDBWAAXXDZYBR-FUMQFTAPSA-N
MW333.41 g/mol
LogP3.35
Rot. Bonds4

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

(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 6877766) has the molecular formula C15H12FN3OS2 and a molecular weight of 333.41 g/mol. Its IUPAC name is (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID6877766
Molecular FormulaC15H12FN3OS2
Molecular Weight333.41 g/mol
Exact Mass333.04
IUPAC Name(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C/c2cccs2)N1Cc1ccc(F)cc1
InChIInChI=1S/C15H12FN3OS2/c16-12-5-3-11(4-6-12)9-19-14(20)10-22-15(19)18-17-8-13-2-1-7-21-13/h1-8H,9-10H2/b17-8+,18-15+
InChIKeyBPDBWAAXXDZYBR-FUMQFTAPSA-N
XLogP3.35
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.35
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 (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one (CID 6877766) is (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C/c2cccs2)N1Cc1ccc(F)cc1.
What is the InChIKey of (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is BPDBWAAXXDZYBR-FUMQFTAPSA-N. The full InChI is InChI=1S/C15H12FN3OS2/c16-12-5-3-11(4-6-12)9-19-14(20)10-22-15(19)18-17-8-13-2-1-7-21-13/h1-8H,9-10H2/b17-8+,18-15+.
What are the key properties of (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 333.41 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-[(4-fluorophenyl)methyl]-2-[(E)-thiophen-2-ylmethylidenehydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 6877766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).