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

C17H13BrN2O3S — CID 4589295

IUPACN-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O3S/c18-11-6-8-12(9-7-11)19-15(21)10-14-16(22)20(17(23)24-14)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,19,21)
InChIKeyJUADAACURKGNDM-UHFFFAOYSA-N
MW405.27 g/mol
LogP4.05
Rot. Bonds4

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

N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (PubChem CID 4589295) has the molecular formula C17H13BrN2O3S and a molecular weight of 405.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
PubChem CID4589295
Molecular FormulaC17H13BrN2O3S
Molecular Weight405.27 g/mol
Exact Mass403.98
IUPAC NameN-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
SMILESO=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1
InChIInChI=1S/C17H13BrN2O3S/c18-11-6-8-12(9-7-11)19-15(21)10-14-16(22)20(17(23)24-14)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,19,21)
InChIKeyJUADAACURKGNDM-UHFFFAOYSA-N
XLogP4.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'rhod_sat_D(3)', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide (CID 4589295) is N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide is O=C(CC1SC(=O)N(c2ccccc2)C1=O)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
The InChIKey is JUADAACURKGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O3S/c18-11-6-8-12(9-7-11)19-15(21)10-14-16(22)20(17(23)24-14)13-4-2-1-3-5-13/h1-9,14H,10H2,(H,19,21).
What are the key properties of N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide?
N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide has a molecular weight of 405.27 g/mol, XLogP of 4.05, 4 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-phenyl-1,3-thiazolidin-5-yl)acetamide is sourced from PubChem (CID 4589295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).