N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide

C14H15BrN2O3S — CID 660504

IUPACN-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H15BrN2O3S/c1-2-7-17-13(19)11(21-14(17)20)8-12(18)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyHWLOKUYKHURMCS-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.25
Rot. Bonds5

About N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide

N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 660504) has the molecular formula C14H15BrN2O3S and a molecular weight of 371.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
PubChem CID660504
Molecular FormulaC14H15BrN2O3S
Molecular Weight371.26 g/mol
Exact Mass370.00
IUPAC NameN-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
SMILESCCCN1C(=O)SC(CC(=O)Nc2ccc(Br)cc2)C1=O
InChIInChI=1S/C14H15BrN2O3S/c1-2-7-17-13(19)11(21-14(17)20)8-12(18)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18)
InChIKeyHWLOKUYKHURMCS-UHFFFAOYSA-N
XLogP3.25
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
CID 599035
N-(4-bromo-2-fluorophenyl)-4-(2,5-dioxo-1-pyrrolidinyl)butanamide
CID 2219836
N-(4-bromo-2-fluorophenyl)-6-(2,5-dioxopyrrolidin-1-yl)hexanamide
CID 2219854
N-(4-Bromo-phenyl)-2-(2,5-dioxo-1-phenethyl-pyrrolidin-3-ylsulfanyl)-acetamide
CID 2852332
1-(4-bromophenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 3116857
N-(4-bromophenyl)-2-[(3R,4R)-1-butyl-4-(methylsulfanylmethyl)-2-oxopyrrolidin-3-yl]acetamide
CID 46902768
[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
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide
CID 648786
N-(2,4-dibromophenyl)-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4446050
2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)-N-phenylacetamide
CID 650257
1-(4-bromophenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 652443

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide (CID 660504) is N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide is CCCN1C(=O)SC(CC(=O)Nc2ccc(Br)cc2)C1=O.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is HWLOKUYKHURMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O3S/c1-2-7-17-13(19)11(21-14(17)20)8-12(18)16-10-5-3-9(15)4-6-10/h3-6,11H,2,7-8H2,1H3,(H,16,18).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide?
N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 371.26 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 660504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).