2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

C17H15FN4O3S — CID 4893500

IUPAC2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)SC(=Cc2ccccc2F)C1=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H15FN4O3S/c18-13-4-2-1-3-11(13)7-14-16(24)22(17(25)26-14)9-15(23)20-6-5-12-8-19-10-21-12/h1-4,7-8,10H,5-6,9H2,(H,19,21)(H,20,23)
InChIKeyFHXNUSFFSVOJRN-UHFFFAOYSA-N
MW374.40 g/mol
LogP1.94
Rot. Bonds6

About 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide

2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (PubChem CID 4893500) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
PubChem CID4893500
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
SMILESO=C(CN1C(=O)SC(=Cc2ccccc2F)C1=O)NCCc1cnc[nH]1
InChIInChI=1S/C17H15FN4O3S/c18-13-4-2-1-3-11(13)7-14-16(24)22(17(25)26-14)9-15(23)20-6-5-12-8-19-10-21-12/h1-4,7-8,10H,5-6,9H2,(H,19,21)(H,20,23)
InChIKeyFHXNUSFFSVOJRN-UHFFFAOYSA-N
XLogP1.94
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide (CID 4893500) is 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is O=C(CN1C(=O)SC(=Cc2ccccc2F)C1=O)NCCc1cnc[nH]1.
What is the InChIKey of 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
The InChIKey is FHXNUSFFSVOJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c18-13-4-2-1-3-11(13)7-14-16(24)22(17(25)26-14)9-15(23)20-6-5-12-8-19-10-21-12/h1-4,7-8,10H,5-6,9H2,(H,19,21)(H,20,23).
What are the key properties of 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide?
2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide has a molecular weight of 374.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-[2-(1H-imidazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 4893500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).