5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C10H11FN2O4S — CID 91265488

IUPAC5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCCc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C10H11FN2O4S/c1-2-6-3-7(11)10(8(14)4-6)13-5-9(15)12-18(13,16)17/h3-5,12,14-15H,2H2,1H3
InChIKeyCFFLIULVNBOSCU-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.11
Rot. Bonds2

About 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 91265488) has the molecular formula C10H11FN2O4S and a molecular weight of 274.27 g/mol. Its IUPAC name is 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID91265488
Molecular FormulaC10H11FN2O4S
Molecular Weight274.27 g/mol
Exact Mass274.04
IUPAC Name5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCCc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1
InChIInChI=1S/C10H11FN2O4S/c1-2-6-3-7(11)10(8(14)4-6)13-5-9(15)12-18(13,16)17/h3-5,12,14-15H,2H2,1H3
InChIKeyCFFLIULVNBOSCU-UHFFFAOYSA-N
XLogP1.11
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 123773983
[5-benzyl-3-fluoro-2-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl] benzoate
CID 91079553
5-[2-hydroxy-4-(methylsulfanylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91183795
5-[4-[(2,5-difluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91511346
4-[8-fluoro-6-hydroxy-7-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalen-2-yl]butanoic acid
CID 91386011
[4-ethyl-2-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]phenyl]methanesulfonamide
CID 90937223
N-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]ethanesulfonamide
CID 91205248
5-[2-hydroxy-4-(pyrazol-1-ylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90895549
5-[2-hydroxy-4-(2-hydroxyhexyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90789763
tert-butyl 3-[3-fluoro-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)-5-phenylmethoxyphenyl]prop-2-enoate
CID 90771056
4-[2-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]ethyl]benzoic acid
CID 91020999
4-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]butanenitrile
CID 91376646

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 91265488) is 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is CCc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1.
What is the InChIKey of 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is CFFLIULVNBOSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O4S/c1-2-6-3-7(11)10(8(14)4-6)13-5-9(15)12-18(13,16)17/h3-5,12,14-15H,2H2,1H3.
What are the key properties of 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 274.27 g/mol, XLogP of 1.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-2-fluoro-6-hydroxyphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 91265488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).