2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide

C11H8BrN3O3S — CID 10450021

IUPAC2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H8BrN3O3S/c12-5-10(16)14-11-13-8(6-19-11)7-3-1-2-4-9(7)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeyNAAFZNFUPZEBDK-UHFFFAOYSA-N
MW342.17 g/mol
LogP3.05
Rot. Bonds4

About 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide

2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 10450021) has the molecular formula C11H8BrN3O3S and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID10450021
Molecular FormulaC11H8BrN3O3S
Molecular Weight342.17 g/mol
Exact Mass340.95
IUPAC Name2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide
SMILESO=C(CBr)Nc1nc(-c2ccccc2[N+](=O)[O-])cs1
InChIInChI=1S/C11H8BrN3O3S/c12-5-10(16)14-11-13-8(6-19-11)7-3-1-2-4-9(7)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeyNAAFZNFUPZEBDK-UHFFFAOYSA-N
XLogP3.05
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-nitrophenyl)-N-propyl-1,3-thiazol-2-amine
CID 62942170
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 42992045
N-[4-[2-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-2-(2-nitroanilino)acetamide
CID 56573359
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2-(4-nitrophenyl)acetamide
CID 4117062
N-[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 55677481
N-[4-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenyl)acetamide
CID 18127573
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-4-methyl-3,5-dinitrobenzamide
CID 19195225
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
2-bromo-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]acetamide
CID 63678715
N-methyl-1-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]methanamine
CID 62544163
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-(2-nitrophenoxy)acetamide
CID 4848684
N-(4-naphthalen-1-yl-1,3-thiazol-2-yl)-2,4-dinitrobenzamide
CID 3648030

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide (CID 10450021) is 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide is O=C(CBr)Nc1nc(-c2ccccc2[N+](=O)[O-])cs1.
What is the InChIKey of 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is NAAFZNFUPZEBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3S/c12-5-10(16)14-11-13-8(6-19-11)7-3-1-2-4-9(7)15(17)18/h1-4,6H,5H2,(H,13,14,16).
What are the key properties of 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide?
2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 342.17 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(2-nitrophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 10450021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).