2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

C10H10BrNO3S — CID 82094848

IUPAC2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C10H10BrNO3S/c1-7-6-16(14,15)12(10(7)13)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3
InChIKeyMXAGDKAAFPJZGY-UHFFFAOYSA-N
MW304.17 g/mol
LogP1.76
Rot. Bonds1

About 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one

2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (PubChem CID 82094848) has the molecular formula C10H10BrNO3S and a molecular weight of 304.17 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
PubChem CID82094848
Molecular FormulaC10H10BrNO3S
Molecular Weight304.17 g/mol
Exact Mass302.96
IUPAC Name2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one
SMILESCC1CS(=O)(=O)N(c2cccc(Br)c2)C1=O
InChIInChI=1S/C10H10BrNO3S/c1-7-6-16(14,15)12(10(7)13)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3
InChIKeyMXAGDKAAFPJZGY-UHFFFAOYSA-N
XLogP1.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347887
3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-phenylbenzamide
CID 42347874
1-(3-bromophenyl)-3-methylpyrrolidine-2,5-dione
CID 61036556
N-(4-bromo-2-methylphenyl)-2-methyl-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21005199
N-[(2-methylphenyl)methyl]-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347170
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2,4,6-trimethylphenyl)benzamide
CID 42348031
N-(3,4-dimethylphenyl)-3-[(4S)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 42347946
3-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]-N-(2-phenylethyl)benzamide
CID 42347308
4-methyl-1,1-dioxo-2-(4-propan-2-ylphenyl)-1,2-thiazolidin-3-one
CID 82092283
N-(4-methoxybutyl)-3-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 110617107
N-(4-bromo-2-fluorophenyl)-4-(4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21006949
N-(4-bromophenyl)-4-[(4R)-4-methyl-1,1,3-trioxo-1,2-thiazolidin-2-yl]benzamide
CID 26824391

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The IUPAC name of 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one (CID 82094848) is 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one.
What is the SMILES notation for 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The canonical SMILES for 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is CC1CS(=O)(=O)N(c2cccc(Br)c2)C1=O.
What is the InChIKey of 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
The InChIKey is MXAGDKAAFPJZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3S/c1-7-6-16(14,15)12(10(7)13)9-4-2-3-8(11)5-9/h2-5,7H,6H2,1H3.
What are the key properties of 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one?
2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one has a molecular weight of 304.17 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-methyl-1,1-dioxo-1,2-thiazolidin-3-one is sourced from PubChem (CID 82094848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).