5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C10H5F2NOS2 — CID 75267623

IUPAC5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc(F)ccc1F
InChIInChI=1S/C10H5F2NOS2/c11-6-1-2-7(12)5(3-6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
InChIKeyQEWKRKYLGUETOU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.45
Rot. Bonds1

About 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 75267623) has the molecular formula C10H5F2NOS2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID75267623
Molecular FormulaC10H5F2NOS2
Molecular Weight257.29 g/mol
Exact Mass256.98
IUPAC Name5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)SC1=Cc1cc(F)ccc1F
InChIInChI=1S/C10H5F2NOS2/c11-6-1-2-7(12)5(3-6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15)
InChIKeyQEWKRKYLGUETOU-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-[(2-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3785989
(5Z)-5-[(4-fluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1207359
(5Z)-5-[(2,5-dichlorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 6243032
(5Z)-5-[[4-(3,4-difluorophenyl)phenyl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 25067908
5-[(2,6-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 4131394
(5E)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-methylsulfanyl-1,3-thiazol-4-one;(5E)-5-[(5-fluoro-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one;iodomethane;methane
CID 160550937
(5Z)-5-[(2,5-dimethylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1357377
5-[(2,4-dihydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 3096036
(5E)-5-[[5-(4-fluorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1354400
(5E)-5-[(2-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2302246
(5Z)-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1206905
5-[(5-bromo-2-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2796949

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 75267623) is 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)SC1=Cc1cc(F)ccc1F.
What is the InChIKey of 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is QEWKRKYLGUETOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F2NOS2/c11-6-1-2-7(12)5(3-6)4-8-9(14)13-10(15)16-8/h1-4H,(H,13,14,15).
What are the key properties of 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 257.29 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-difluorophenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 75267623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).