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

C10H6BrN3O3S — CID 3113441

IUPAC2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Br
InChIInChI=1S/C10H6BrN3O3S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyNPTZSEVMQXDFAA-UHFFFAOYSA-N
MW328.15 g/mol
LogP3.07
Rot. Bonds3

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

2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide (PubChem CID 3113441) has the molecular formula C10H6BrN3O3S and a molecular weight of 328.15 g/mol. Its IUPAC name is 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
PubChem CID3113441
Molecular FormulaC10H6BrN3O3S
Molecular Weight328.15 g/mol
Exact Mass326.93
IUPAC Name2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Br
InChIInChI=1S/C10H6BrN3O3S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15)
InChIKeyNPTZSEVMQXDFAA-UHFFFAOYSA-N
XLogP3.07
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.15
LogP ≤ 53.07
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

N-(5-nitro-2-thiazolyl)benzamide
CID 47359
4-Bromo-N-(1,3-thiazol-2-yl)benzamide
CID 603114
4-methyl-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 2853283
2-bromo-N-(1,3-thiazol-2-yl)benzamide
CID 710579
2-(4-bromophenyl)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 2904045
3-nitro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 298930
N-(5-nitro-1,3-thiazol-2-yl)-3-phenylpropanamide
CID 2905052
N-(5-Nitrothiazol-2-yl)-3-(trifluoromethyl)benzamide
CID 4328817
N-(5-nitro-2-thiazolyl)-4-(trifluoromethyl)-benzamide
CID 129396559
7N-060
CID 321574
N-(5-bromo-1,3-thiazol-2-yl)benzamide
CID 16068636
3-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzamide
CID 3108179

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide (CID 3113441) is 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide is O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
The InChIKey is NPTZSEVMQXDFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrN3O3S/c11-7-4-2-1-3-6(7)9(15)13-10-12-5-8(18-10)14(16)17/h1-5H,(H,12,13,15).
What are the key properties of 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide?
2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide has a molecular weight of 328.15 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(5-nitro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 3113441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).