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

C16H15FN2O4S — CID 155523527

IUPAC2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)N1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O4S/c1-3-8-23-18-14(20)10(2)19-15(21)13(24-16(19)22)9-11-4-6-12(17)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,18,20)/b13-9-
InChIKeyPBYWTBXMWMKPOK-LCYFTJDESA-N
MW350.37 g/mol
LogP2.48
Rot. Bonds6

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

2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide (PubChem CID 155523527) has the molecular formula C16H15FN2O4S and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide.

Molecular Properties

Compound Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide
PubChem CID155523527
Molecular FormulaC16H15FN2O4S
Molecular Weight350.37 g/mol
Exact Mass350.07
IUPAC Name2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide
SMILESC=CCONC(=O)C(C)N1C(=O)S/C(=C\c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H15FN2O4S/c1-3-8-23-18-14(20)10(2)19-15(21)13(24-16(19)22)9-11-4-6-12(17)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,18,20)/b13-9-
InChIKeyPBYWTBXMWMKPOK-LCYFTJDESA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.48
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-enoxypropanamide?
The IUPAC name of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide (CID 155523527) is 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide.
What is the SMILES notation for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide?
The canonical SMILES for 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide is C=CCONC(=O)C(C)N1C(=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-enoxypropanamide?
The InChIKey is PBYWTBXMWMKPOK-LCYFTJDESA-N. The full InChI is InChI=1S/C16H15FN2O4S/c1-3-8-23-18-14(20)10(2)19-15(21)13(24-16(19)22)9-11-4-6-12(17)7-5-11/h3-7,9-10H,1,8H2,2H3,(H,18,20)/b13-9-.
What are the key properties of 2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide?
2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-prop-2-enoxypropanamide has a molecular weight of 350.37 g/mol, XLogP of 2.48, 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-enoxypropanamide is sourced from PubChem (CID 155523527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).