N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

C12H11BrN2O3S — CID 4728913

IUPACN-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1C(=O)CSC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3S/c13-8-1-3-9(4-2-8)14-10(16)5-6-15-11(17)7-19-12(15)18/h1-4H,5-7H2,(H,14,16)
InChIKeyGPSKSEDNAGNEGI-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.47
Rot. Bonds4

About N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide

N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (PubChem CID 4728913) has the molecular formula C12H11BrN2O3S and a molecular weight of 343.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
PubChem CID4728913
Molecular FormulaC12H11BrN2O3S
Molecular Weight343.20 g/mol
Exact Mass341.97
IUPAC NameN-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide
SMILESO=C(CCN1C(=O)CSC1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C12H11BrN2O3S/c13-8-1-3-9(4-2-8)14-10(16)5-6-15-11(17)7-19-12(15)18/h1-4H,5-7H2,(H,14,16)
InChIKeyGPSKSEDNAGNEGI-UHFFFAOYSA-N
XLogP2.47
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.47
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

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3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide (CID 4728913) is N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is O=C(CCN1C(=O)CSC1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
The InChIKey is GPSKSEDNAGNEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3S/c13-8-1-3-9(4-2-8)14-10(16)5-6-15-11(17)7-19-12(15)18/h1-4H,5-7H2,(H,14,16).
What are the key properties of N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide?
N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide has a molecular weight of 343.20 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(2,4-dioxo-1,3-thiazolidin-3-yl)propanamide is sourced from PubChem (CID 4728913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).