1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione

C13H11BrN2O2S2 — CID 599035

IUPAC1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
SMILESO=C1CC(SC2=NCCS2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S2/c14-8-1-3-9(4-2-8)16-11(17)7-10(12(16)18)20-13-15-5-6-19-13/h1-4,10H,5-7H2
InChIKeySZZOQNMSEZJUSN-UHFFFAOYSA-N
MW371.28 g/mol
LogP2.92
Rot. Bonds2

About 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione

1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 599035) has the molecular formula C13H11BrN2O2S2 and a molecular weight of 371.28 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
PubChem CID599035
Molecular FormulaC13H11BrN2O2S2
Molecular Weight371.28 g/mol
Exact Mass369.94
IUPAC Name1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
SMILESO=C1CC(SC2=NCCS2)C(=O)N1c1ccc(Br)cc1
InChIInChI=1S/C13H11BrN2O2S2/c14-8-1-3-9(4-2-8)16-11(17)7-10(12(16)18)20-13-15-5-6-19-13/h1-4,10H,5-7H2
InChIKeySZZOQNMSEZJUSN-UHFFFAOYSA-N
XLogP2.92
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.28
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Bromophenyl)succinimide
CID 265738
N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 660504
[1-(4-Bromo-phenyl)-2,5-dioxo-pyrrolidin-3-ylsulfanyl]-acetic acid
CID 2827707
1-(4-Bromophenyl)-3-thiomorpholin-4-ylpyrrolidine-2,5-dione
CID 2855109
N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 4589295
N-(4-bromophenyl)-2-(3-oxo-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-2-yl)acetamide
CID 2939488
3-(4-Bromophenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 209691
3-(4-Bromophenyl)-5-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 211727
3-(4-Bromophenyl)-5-butyl-2-thioxo-4-thiazolidinone
CID 211740
Rhodanine, 3-(p-bromophenyl)-5-ethyl-
CID 211845
3-(4-Bromophenyl)-4-thiazolidinone
CID 1478389
N-(4-bromophenyl)-2-[2,4-dioxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-5-yl]acetamide
CID 16433064

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione (CID 599035) is 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione is O=C1CC(SC2=NCCS2)C(=O)N1c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is SZZOQNMSEZJUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O2S2/c14-8-1-3-9(4-2-8)16-11(17)7-10(12(16)18)20-13-15-5-6-19-13/h1-4,10H,5-7H2.
What are the key properties of 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione?
1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 371.28 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 599035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).