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

C12H11FN2O5S — CID 168900472

IUPAC5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(C3=CCOC3)c2F)S(=O)(=O)N1
InChIInChI=1S/C12H11FN2O5S/c13-11-8(7-3-4-20-6-7)1-2-9(16)12(11)15-5-10(17)14-21(15,18)19/h1-3,16H,4-6H2,(H,14,17)
InChIKeyMCOHGJCQWVZZRJ-UHFFFAOYSA-N
MW314.29 g/mol
LogP0.13
Rot. Bonds2

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

5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (PubChem CID 168900472) has the molecular formula C12H11FN2O5S and a molecular weight of 314.29 g/mol. Its IUPAC name is 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.

Molecular Properties

Compound Name5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
PubChem CID168900472
Molecular FormulaC12H11FN2O5S
Molecular Weight314.29 g/mol
Exact Mass314.04
IUPAC Name5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
SMILESO=C1CN(c2c(O)ccc(C3=CCOC3)c2F)S(=O)(=O)N1
InChIInChI=1S/C12H11FN2O5S/c13-11-8(7-3-4-20-6-7)1-2-9(16)12(11)15-5-10(17)14-21(15,18)19/h1-3,16H,4-6H2,(H,14,17)
InChIKeyMCOHGJCQWVZZRJ-UHFFFAOYSA-N
XLogP0.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one with MolForge

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Related Compounds

Tegeprotafib
CID 153379950
US20250129032, Example 30
CID 169128159
5-[4-[2-[(3R)-3-ethylpyrrolidin-1-yl]ethyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169242061
Ptpn2/1-IN-3
CID 171391820
5-(6-Fluoro-8-hydroxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376714
5-(6-Fluoro-8-hydroxy-3-propan-2-yl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376715
5-[3-(2,2-Difluoroethyl)-6-fluoro-8-hydroxy-1,2,4,5-tetrahydro-3-benzazepin-7-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376717
5-(6-Fluoro-8-hydroxy-3,4-dimethyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 177376722
5-[(2R)-4-fluoro-6-hydroxy-2-(hydroxymethyl)-2,3-dihydro-1H-indol-5-yl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 168884520
5-[3-[[(4,4-Dimethylcyclohexyl)amino]methyl]-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one
CID 169119831
US20250129032, Example 29
CID 169128209
US20250257059, Example 80
CID 169242008

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The IUPAC name of 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one (CID 168900472) is 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one.
What is the SMILES notation for 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The canonical SMILES for 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is O=C1CN(c2c(O)ccc(C3=CCOC3)c2F)S(=O)(=O)N1.
What is the InChIKey of 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
The InChIKey is MCOHGJCQWVZZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O5S/c13-11-8(7-3-4-20-6-7)1-2-9(16)12(11)15-5-10(17)14-21(15,18)19/h1-3,16H,4-6H2,(H,14,17).
What are the key properties of 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one?
5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one has a molecular weight of 314.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,5-dihydrofuran-3-yl)-2-fluoro-6-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one is sourced from PubChem (CID 168900472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).