(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

C14H11FN4O3S2 — CID 135878149

IUPAC(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2\NC(=O)C(CC(=O)c3ccc(F)cc3)S2)N1
InChIInChI=1S/C14H11FN4O3S2/c15-8-3-1-7(2-4-8)9(20)5-10-12(22)17-14(24-10)19-18-13-16-11(21)6-23-13/h1-4,10H,5-6H2,(H,16,18,21)(H,17,19,22)
InChIKeyUVRJSFLVZGVBCQ-UHFFFAOYSA-N
MW366.40 g/mol
LogP1.12
Rot. Bonds4

About (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one

(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (PubChem CID 135878149) has the molecular formula C14H11FN4O3S2 and a molecular weight of 366.40 g/mol. Its IUPAC name is (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
PubChem CID135878149
Molecular FormulaC14H11FN4O3S2
Molecular Weight366.40 g/mol
Exact Mass366.03
IUPAC Name(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
SMILESO=C1CS/C(=N/N=C2\NC(=O)C(CC(=O)c3ccc(F)cc3)S2)N1
InChIInChI=1S/C14H11FN4O3S2/c15-8-3-1-7(2-4-8)9(20)5-10-12(22)17-14(24-10)19-18-13-16-11(21)6-23-13/h1-4,10H,5-6H2,(H,16,18,21)(H,17,19,22)
InChIKeyUVRJSFLVZGVBCQ-UHFFFAOYSA-N
XLogP1.12
TPSA99.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one (CID 135878149) is (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is O=C1CS/C(=N/N=C2\NC(=O)C(CC(=O)c3ccc(F)cc3)S2)N1.
What is the InChIKey of (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
The InChIKey is UVRJSFLVZGVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4O3S2/c15-8-3-1-7(2-4-8)9(20)5-10-12(22)17-14(24-10)19-18-13-16-11(21)6-23-13/h1-4,10H,5-6H2,(H,16,18,21)(H,17,19,22).
What are the key properties of (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one?
(2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one has a molecular weight of 366.40 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5-[2-(4-fluorophenyl)-2-oxoethyl]-2-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135878149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).