5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

C9H8F2N2O4S — CID 123773983

IUPAC5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1F
InChIInChI=1S/C9H8F2N2O4S/c1-4-2-5(14)9(8(11)7(4)10)13-3-6(15)12-18(13,16)17/h2-3,12,14-15H,1H3
InChIKeyGOEZDWJRJUMYTP-UHFFFAOYSA-N
MW278.24 g/mol
LogP0.99
Rot. Bonds1

About 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol

5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (PubChem CID 123773983) has the molecular formula C9H8F2N2O4S and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.

Molecular Properties

Compound Name5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
PubChem CID123773983
Molecular FormulaC9H8F2N2O4S
Molecular Weight278.24 g/mol
Exact Mass278.02
IUPAC Name5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
SMILESCc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1F
InChIInChI=1S/C9H8F2N2O4S/c1-4-2-5(14)9(8(11)7(4)10)13-3-6(15)12-18(13,16)17/h2-3,12,14-15H,1H3
InChIKeyGOEZDWJRJUMYTP-UHFFFAOYSA-N
XLogP0.99
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
5-[2-hydroxy-4-(1-hydroxyethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91097665
5-[2-hydroxy-4-(methylsulfanylmethyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91183795
3-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)naphthalene-2,6-diol
CID 91098323
5-[4-[(2,5-difluorophenyl)methyl]-2-hydroxyphenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91511346
2-[[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]methyl]-4-methylbenzonitrile
CID 91240558
5-[(7S)-7-ethyl-3-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91213748
5-(3-hydroxy-6-methoxy-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 90848262
4-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]butanenitrile
CID 91376646
4-[2-[3-hydroxy-4-(3-hydroxy-1,1-dioxo-2H-1,2,5-thiadiazol-5-yl)phenyl]ethyl]benzoic acid
CID 91020999
5-(3-hydroxy-7,7-dipropyl-6,8-dihydro-5H-naphthalen-2-yl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91175943
5-[2-hydroxy-5-(7-hydroxy-6,6-dimethylheptyl)phenyl]-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol
CID 91406534

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The IUPAC name of 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol (CID 123773983) is 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol.
What is the SMILES notation for 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The canonical SMILES for 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is Cc1cc(O)c(N2C=C(O)NS2(=O)=O)c(F)c1F.
What is the InChIKey of 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
The InChIKey is GOEZDWJRJUMYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O4S/c1-4-2-5(14)9(8(11)7(4)10)13-3-6(15)12-18(13,16)17/h2-3,12,14-15H,1H3.
What are the key properties of 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol?
5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol has a molecular weight of 278.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-6-hydroxy-4-methylphenyl)-1,1-dioxo-2H-1,2,5-thiadiazol-3-ol is sourced from PubChem (CID 123773983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).