2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide

C15H13FN2O4S — CID 155557607

IUPAC2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H13FN2O4S/c1-2-7-22-17-13(19)9-18-14(20)12(23-15(18)21)8-10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19)/b12-8-
InChIKeyQGIIBQQFZASGRI-WQLSENKSSA-N
MW336.34 g/mol
LogP2.10
Rot. Bonds6

About 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide

2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide (PubChem CID 155557607) has the molecular formula C15H13FN2O4S and a molecular weight of 336.34 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
PubChem CID155557607
Molecular FormulaC15H13FN2O4S
Molecular Weight336.34 g/mol
Exact Mass336.06
IUPAC Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide
SMILESC=CCONC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C15H13FN2O4S/c1-2-7-22-17-13(19)9-18-14(20)12(23-15(18)21)8-10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19)/b12-8-
InChIKeyQGIIBQQFZASGRI-WQLSENKSSA-N
XLogP2.10
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The IUPAC name of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide (CID 155557607) is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide.
What is the SMILES notation for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The canonical SMILES for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide is C=CCONC(=O)CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
The InChIKey is QGIIBQQFZASGRI-WQLSENKSSA-N. The full InChI is InChI=1S/C15H13FN2O4S/c1-2-7-22-17-13(19)9-18-14(20)12(23-15(18)21)8-10-3-5-11(16)6-4-10/h2-6,8H,1,7,9H2,(H,17,19)/b12-8-.
What are the key properties of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide?
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide has a molecular weight of 336.34 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxyacetamide is sourced from PubChem (CID 155557607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).