5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

C10H8BrNO2S — CID 11403417

IUPAC5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Br)cc2)S1
InChIInChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5H2,(H,12,13,14)
InChIKeyAYZIBNKIRVLTCI-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.34
Rot. Bonds2

About 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione

5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 11403417) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
PubChem CID11403417
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(Br)cc2)S1
InChIInChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5H2,(H,12,13,14)
InChIKeyAYZIBNKIRVLTCI-UHFFFAOYSA-N
XLogP2.34
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[(4-nitrophenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 12830996
5-[(3,4-dihydroxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3061687
(5S)-5-[(4-ethoxyphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 130307890
5-[[4-(3,3-dimethylbutyl)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 54157642
5-[[4-[(4-chlorophenyl)diazenyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 162649166
5-[[4-(4-bromobutoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141462409
5-[(3,4-dimethylphenyl)methyl]-1,3-thiazolidine-2,4-dione
CID 3061688
[4-[[(5S)-2,4-dioxo-1,3-thiazolidin-5-yl]methyl]phenyl] acetate
CID 6976399
5-[[4-(N-methylanilino)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 173159827
3-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]propanal
CID 10492928
4-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]benzaldehyde
CID 59768293

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione (CID 11403417) is 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(Br)cc2)S1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is AYZIBNKIRVLTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-7-3-1-6(2-4-7)5-8-9(13)12-10(14)15-8/h1-4,8H,5H2,(H,12,13,14).
What are the key properties of 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione?
5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 286.15 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 11403417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).