5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

C17H12F2N4O4S — CID 168900463

IUPAC5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3cn(-c4ccccc4F)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C17H12F2N4O4S/c18-11-3-1-2-4-13(11)22-7-12(20-9-22)10-5-6-14(24)17(16(10)19)23-8-15(25)21-28(23,26)27/h1-7,9,24H,8H2,(H,21,25)
InChIKeyGWKUIMCUTARXLI-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.70
Rot. Bonds3

About 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one

5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900463) has the molecular formula C17H12F2N4O4S and a molecular weight of 406.37 g/mol. Its IUPAC name is 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900463
Molecular FormulaC17H12F2N4O4S
Molecular Weight406.37 g/mol
Exact Mass406.05
IUPAC Name5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(-c3cn(-c4ccccc4F)cn3)c2F)S(=O)(=O)N1
InChIInChI=1S/C17H12F2N4O4S/c18-11-3-1-2-4-13(11)22-7-12(20-9-22)10-5-6-14(24)17(16(10)19)23-8-15(25)21-28(23,26)27/h1-7,9,24H,8H2,(H,21,25)
InChIKeyGWKUIMCUTARXLI-UHFFFAOYSA-N
XLogP1.70
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 168900463) is 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(-c3cn(-c4ccccc4F)cn3)c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is GWKUIMCUTARXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O4S/c18-11-3-1-2-4-13(11)22-7-12(20-9-22)10-5-6-14(24)17(16(10)19)23-8-15(25)21-28(23,26)27/h1-7,9,24H,8H2,(H,21,25).
What are the key properties of 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 406.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-3-[1-(2-fluorophenyl)imidazol-4-yl]-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).