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

C10H7FN2O2S2 — CID 1425237

IUPAC4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S2/c11-7-3-1-6(2-4-7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15)
InChIKeyFBXFAZYKERKYGX-UHFFFAOYSA-N
MW270.31 g/mol
LogP1.33
Rot. Bonds2

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

4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 1425237) has the molecular formula C10H7FN2O2S2 and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID1425237
Molecular FormulaC10H7FN2O2S2
Molecular Weight270.31 g/mol
Exact Mass269.99
IUPAC Name4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2S2/c11-7-3-1-6(2-4-7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15)
InChIKeyFBXFAZYKERKYGX-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_A(33)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzenesulfonamide
CID 11695214
4-[[4-(diethylamino)phenyl]methylideneamino]-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 3719233
4-fluoro-N'-[6-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)hexanoyl]benzohydrazide
CID 9340752
1-(benzenesulfinyl)-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)urea
CID 10041405
N-(4-fluorophenyl)-2-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetamide
CID 110858692
4-fluoro-N-[4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 4762790
4-fluoro-N-[(5Z)-5-[(3-fluorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1393104
4-fluoro-N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 1388508
N-(2,5-dimethylpyrrol-1-yl)-4-fluorobenzamide
CID 900701
4-fluoro-N-[4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]benzamide
CID 4655316
2-[2-[(E)-[3-[(4-fluorobenzoyl)amino]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid
CID 43862604
4-fluorobenzohydrazide
CID 9972

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 1425237) is 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is O=C(NN1C(=O)CSC1=S)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is FBXFAZYKERKYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2S2/c11-7-3-1-6(2-4-7)9(15)12-13-8(14)5-17-10(13)16/h1-4H,5H2,(H,12,15).
What are the key properties of 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 270.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 1425237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).