(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

C16H10FN3O3S — CID 135426173

IUPAC(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10FN3O3S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(24-16)9-10-3-1-2-4-13(10)20(22)23/h1-9H,(H,18,19,21)/b14-9+
InChIKeyXRVDPORMEADFSF-NTEUORMPSA-N
MW343.34 g/mol
LogP3.63
Rot. Bonds3

About (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one

(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 135426173) has the molecular formula C16H10FN3O3S and a molecular weight of 343.34 g/mol. Its IUPAC name is (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID135426173
Molecular FormulaC16H10FN3O3S
Molecular Weight343.34 g/mol
Exact Mass343.04
IUPAC Name(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one
SMILESO=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H10FN3O3S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(24-16)9-10-3-1-2-4-13(10)20(22)23/h1-9H,(H,18,19,21)/b14-9+
InChIKeyXRVDPORMEADFSF-NTEUORMPSA-N
XLogP3.63
TPSA84.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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 (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one (CID 135426173) is (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccccc1[N+](=O)[O-].
What is the InChIKey of (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is XRVDPORMEADFSF-NTEUORMPSA-N. The full InChI is InChI=1S/C16H10FN3O3S/c17-11-5-7-12(8-6-11)18-16-19-15(21)14(24-16)9-10-3-1-2-4-13(10)20(22)23/h1-9H,(H,18,19,21)/b14-9+.
What are the key properties of (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one?
(5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(4-fluorophenyl)imino-5-[(2-nitrophenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 135426173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).