2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide

C10H5Br2N3O3S — CID 107951779

IUPAC2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1Br
InChIInChI=1S/C10H5Br2N3O3S/c11-5-1-2-6(7(12)3-5)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16)
InChIKeyIDMHBGTWPHCFGG-UHFFFAOYSA-N
MW407.04 g/mol
LogP3.83
Rot. Bonds3

About 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide

2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 107951779) has the molecular formula C10H5Br2N3O3S and a molecular weight of 407.04 g/mol. Its IUPAC name is 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID107951779
Molecular FormulaC10H5Br2N3O3S
Molecular Weight407.04 g/mol
Exact Mass404.84
IUPAC Name2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1Br
InChIInChI=1S/C10H5Br2N3O3S/c11-5-1-2-6(7(12)3-5)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16)
InChIKeyIDMHBGTWPHCFGG-UHFFFAOYSA-N
XLogP3.83
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.04
LogP ≤ 53.83
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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Related Compounds

3,5-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 107980172
4-bromo-3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 81307785
2-hydroxy-5-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 11587226
5-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 71459570
2,3-difluoro-N-(5-nitro-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 105380941
2,4-dibromo-N-(2-nitrophenyl)benzamide
CID 107951959
5-methyl-N-(5-nitro-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 45086935
3-fluoro-2-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 175919780
4-benzoyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3454612
5-nitro-N-(5-nitro-1,3-thiazol-2-yl)furan-2-carboxamide
CID 3749457
4-bromo-N-(5-nitro-1,3-thiazol-2-yl)-1-propylpyrrole-2-carboxamide
CID 60954776
ethyl [2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl] carbonate
CID 50908054

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 107951779) is 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(Br)cc1Br.
What is the InChIKey of 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is IDMHBGTWPHCFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2N3O3S/c11-5-1-2-6(7(12)3-5)9(16)14-10-13-4-8(19-10)15(17)18/h1-4H,(H,13,14,16).
What are the key properties of 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 407.04 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 107951779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).