2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide

C11H10BrN3O2S — CID 3482862

IUPAC2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17)
InChIKeyILUURQZRUVBUDF-UHFFFAOYSA-N
MW328.19 g/mol
LogP1.73
Rot. Bonds3

About 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide

2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide (PubChem CID 3482862) has the molecular formula C11H10BrN3O2S and a molecular weight of 328.19 g/mol. Its IUPAC name is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide.

Molecular Properties

Compound Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide
PubChem CID3482862
Molecular FormulaC11H10BrN3O2S
Molecular Weight328.19 g/mol
Exact Mass326.97
IUPAC Name2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide
SMILESNC1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1
InChIInChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17)
InChIKeyILUURQZRUVBUDF-UHFFFAOYSA-N
XLogP1.73
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.19
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-Bromophenyl)-3-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)pyrrolidine-2,5-dione
CID 599035
N-(4-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]acetamide
CID 135444927
N-(4-bromophenyl)-2-(2,4-dioxo-3-propyl-1,3-thiazolidin-5-yl)acetamide
CID 660504
N-(4-bromophenyl)-2-[(8-oxo-6,7-dihydro-5H-[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
CID 5109487
N-(3-bromophenyl)-2-[(5-ethyl-4-methyl-6-oxo-1,6-dihydro-2-pyrimidinyl)thio]acetamide
CID 135413743
N-(4-bromophenyl)-2-[(5-hydroxy-6-methyl-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135484729
N-(2,4-dibromophenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135519986
N-(4-bromophenyl)-2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]acetamide
CID 135416684
[3-(4-Bromo-phenylcarbamoyl)-propylsulfanyl]-acetic acid
CID 648081
N-(4-bromophenyl)-2-(cyanomethylthio)acetamide
CID 2230065
N-(4-bromophenyl)-2-(2,4-dioxo-3-phenyl-1,3-thiazolidin-5-yl)acetamide
CID 4589295
N-(3-bromophenyl)-3-ethyl-2-(ethylimino)-4-oxo-1,3-thiazinane-6-carboxamide
CID 15944968

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide?
The IUPAC name of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide (CID 3482862) is 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide.
What is the SMILES notation for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide?
The canonical SMILES for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide is NC1=NC(=O)C(CC(=O)Nc2ccc(Br)cc2)S1.
What is the InChIKey of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide?
The InChIKey is ILUURQZRUVBUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3O2S/c12-6-1-3-7(4-2-6)14-9(16)5-8-10(17)15-11(13)18-8/h1-4,8H,5H2,(H,14,16)(H2,13,15,17).
What are the key properties of 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide?
2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide has a molecular weight of 328.19 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-oxo-1,3-thiazol-5-yl)-N-(4-bromophenyl)acetamide is sourced from PubChem (CID 3482862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).