2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide

C10H6F2N2O2S2 — CID 2383902

IUPAC2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1c(F)cccc1F
InChIInChI=1S/C10H6F2N2O2S2/c11-5-2-1-3-6(12)8(5)9(16)13-14-7(15)4-18-10(14)17/h1-3H,4H2,(H,13,16)
InChIKeyQLVUVFXNMZEHGK-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.47
Rot. Bonds2

About 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide

2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (PubChem CID 2383902) has the molecular formula C10H6F2N2O2S2 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
PubChem CID2383902
Molecular FormulaC10H6F2N2O2S2
Molecular Weight288.30 g/mol
Exact Mass287.98
IUPAC Name2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
SMILESO=C(NN1C(=O)CSC1=S)c1c(F)cccc1F
InChIInChI=1S/C10H6F2N2O2S2/c11-5-2-1-3-6(12)8(5)9(16)13-14-7(15)4-18-10(14)17/h1-3H,4H2,(H,13,16)
InChIKeyQLVUVFXNMZEHGK-UHFFFAOYSA-N
XLogP1.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.47
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

2-methyl-N-(4-oxo-2-sulfanylidene-3-thiazolidinyl)benzamide
CID 1202470
4-methyl-N-((Z)-5-((E)-2-methyl-3-phenylallylidene)-4-oxo-2-thioxothiazolidin-3-yl)benzamide
CID 2015090
4-methyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425000
N'-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]-2-fluorobenzohydrazide
CID 7692277
4-tert-butyl-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 2338838
N-(4-Oxo-2-thioxo-thiazolidin-3-yl)-benzamide
CID 482274
Saijunmao
CID 43990
nonyl N-[(4-fluorobenzoyl)amino]carbamodithioate
CID 12948623
Benzamide, 2-chloro-N-(4-oxo-2-thioxo-3-thiazolidinyl)-
CID 1269522
4-fluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide
CID 1425237
N-[(E)-[allylsulfanyl(amino)methylene]amino]-4-fluoro-benzamide
CID 11820960
nonyl N-benzamido-N-methylcarbamodithioate
CID 12948633

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The IUPAC name of 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide (CID 2383902) is 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide.
What is the SMILES notation for 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The canonical SMILES for 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is O=C(NN1C(=O)CSC1=S)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
The InChIKey is QLVUVFXNMZEHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N2O2S2/c11-5-2-1-3-6(12)8(5)9(16)13-14-7(15)4-18-10(14)17/h1-3H,4H2,(H,13,16).
What are the key properties of 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide?
2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide has a molecular weight of 288.30 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)benzamide is sourced from PubChem (CID 2383902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).