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

C11H8BrN3O3S — CID 2904045

IUPAC2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8BrN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeyCPJLEFWHDGPJKX-UHFFFAOYSA-N
MW342.17 g/mol
LogP2.99
Rot. Bonds4

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

2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 2904045) has the molecular formula C11H8BrN3O3S and a molecular weight of 342.17 g/mol. Its IUPAC name is 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID2904045
Molecular FormulaC11H8BrN3O3S
Molecular Weight342.17 g/mol
Exact Mass340.95
IUPAC Name2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C11H8BrN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16)
InChIKeyCPJLEFWHDGPJKX-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 2904045) is 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc(Br)cc1)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is CPJLEFWHDGPJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrN3O3S/c12-8-3-1-7(2-4-8)5-9(16)14-11-13-6-10(19-11)15(17)18/h1-4,6H,5H2,(H,13,14,16).
What are the key properties of 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 342.17 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2904045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).