3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

C10H7FN2O2S — CID 154441871

IUPAC3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C1CS/C(=N/C(=O)c2cccc(F)c2)N1
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-2-6(4-7)9(15)13-10-12-8(14)5-16-10/h1-4H,5H2,(H,12,13,14,15)
InChIKeyQGSBBZDSEALRIK-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.18
Rot. Bonds1

About 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide

3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (PubChem CID 154441871) has the molecular formula C10H7FN2O2S and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
PubChem CID154441871
Molecular FormulaC10H7FN2O2S
Molecular Weight238.24 g/mol
Exact Mass238.02
IUPAC Name3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide
SMILESO=C1CS/C(=N/C(=O)c2cccc(F)c2)N1
InChIInChI=1S/C10H7FN2O2S/c11-7-3-1-2-6(4-7)9(15)13-10-12-8(14)5-16-10/h1-4H,5H2,(H,12,13,14,15)
InChIKeyQGSBBZDSEALRIK-UHFFFAOYSA-N
XLogP1.18
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-(3-oxo-4H-1,4-benzothiazin-6-yl)benzamide
CID 35874940
3-fluoro-N-[(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]benzamide
CID 110784744
(1E)-1-(4-oxo-1,3-thiazolidin-2-ylidene)-3-phenylurea
CID 135501318
(2Z)-2-[(E)-1-(4-fluorophenyl)ethylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 135743595
3-fluorobenzoyl isocyanate
CID 18071322
3-fluorobenzoyl azide
CID 12613734
2-[(5-fluoro-2-methoxyphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168576126
4-[2-(3-fluorophenyl)-2-oxoethyl]piperazine-2,6-dione
CID 66083375
2-methylimino-1,3-thiazolidin-4-one
CID 135778872
2-[[2-(difluoromethoxy)-5-fluorophenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574571
2-[(4-fluoro-2-iodophenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574388
2-(2,6-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135490047

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The IUPAC name of 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide (CID 154441871) is 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide.
What is the SMILES notation for 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The canonical SMILES for 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is O=C1CS/C(=N/C(=O)c2cccc(F)c2)N1.
What is the InChIKey of 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
The InChIKey is QGSBBZDSEALRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S/c11-7-3-1-2-6(4-7)9(15)13-10-12-8(14)5-16-10/h1-4H,5H2,(H,12,13,14,15).
What are the key properties of 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide?
3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide has a molecular weight of 238.24 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(4-oxo-1,3-thiazolidin-2-ylidene)benzamide is sourced from PubChem (CID 154441871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).