5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol

C11H15BrN2O4S — CID 90839862

IUPAC5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol
SMILESCCO.CN1C(=O)CN(c2ccccc2Br)S1(=O)=O
InChIInChI=1S/C9H9BrN2O3S.C2H6O/c1-11-9(13)6-12(16(11,14)15)8-5-3-2-4-7(8)10;1-2-3/h2-5H,6H2,1H3;3H,2H2,1H3
InChIKeySJHKWLUCBXPITR-UHFFFAOYSA-N
MW351.22 g/mol
LogP0.97
Rot. Bonds1

About 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol

5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol (PubChem CID 90839862) has the molecular formula C11H15BrN2O4S and a molecular weight of 351.22 g/mol. Its IUPAC name is 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol.

Molecular Properties

Compound Name5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol
PubChem CID90839862
Molecular FormulaC11H15BrN2O4S
Molecular Weight351.22 g/mol
Exact Mass349.99
IUPAC Name5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol
SMILESCCO.CN1C(=O)CN(c2ccccc2Br)S1(=O)=O
InChIInChI=1S/C9H9BrN2O3S.C2H6O/c1-11-9(13)6-12(16(11,14)15)8-5-3-2-4-7(8)10;1-2-3/h2-5H,6H2,1H3;3H,2H2,1H3
InChIKeySJHKWLUCBXPITR-UHFFFAOYSA-N
XLogP0.97
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol 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

bis(5-(2-bromophenyl)-1,1-dioxo-1,2,5-thiadiazolidin-3-one);tris(5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one);1,1-dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one;ethane;ethanol;ethylsulfanylethane;iodomethane;methanol;propane
CID 158560041
2-(2-bromophenyl)-5-methyl-1,2,5-thiadiazolidine 1,1-dioxide
CID 117026585
4-(2-bromophenyl)-1-methyl-1,4-diazepan-2-one
CID 117005401
1-(2-bromophenyl)-6-ethylpiperazine-2,5-dione
CID 64962424
3-(2-bromophenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011660
3-(2-bromophenyl)-4-(hydroxymethyl)-4-methyl-1,3-oxazolidin-2-one
CID 115063939
1-(2-bromophenyl)-3-(hydroxymethyl)-4,5-dimethyl-1,4-diazepan-2-one
CID 84608108
(3S)-1-(2-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 30838716
2-(2-bromophenyl)-1,1-dioxo-1,2,6-thiadiazinane-4-carboxylic acid
CID 84610228
4-amino-2-(2-bromophenyl)-5-ethyl-1-propylpyrazol-3-one
CID 61270213
1-(2-bromophenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 78851699
2-[5-(2-methylphenyl)-1,1-dioxo-1,2,5-thiadiazolidin-2-yl]ethanol
CID 84805343

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol?
The IUPAC name of 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol (CID 90839862) is 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol.
What is the SMILES notation for 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol?
The canonical SMILES for 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol is CCO.CN1C(=O)CN(c2ccccc2Br)S1(=O)=O.
What is the InChIKey of 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol?
The InChIKey is SJHKWLUCBXPITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2O3S.C2H6O/c1-11-9(13)6-12(16(11,14)15)8-5-3-2-4-7(8)10;1-2-3/h2-5H,6H2,1H3;3H,2H2,1H3.
What are the key properties of 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol?
5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol has a molecular weight of 351.22 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-2-methyl-1,1-dioxo-1,2,5-thiadiazolidin-3-one;ethanol is sourced from PubChem (CID 90839862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).