2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C8H6BrN5O3S — CID 1278068

IUPAC2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C8H6BrN5O3S/c9-5-3-13(12-7(5)14(16)17)4-6(15)11-8-10-1-2-18-8/h1-3H,4H2,(H,10,11,15)
InChIKeyCIIKBHCKCNXLSX-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.65
Rot. Bonds4

About 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1278068) has the molecular formula C8H6BrN5O3S and a molecular weight of 332.14 g/mol. Its IUPAC name is 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1278068
Molecular FormulaC8H6BrN5O3S
Molecular Weight332.14 g/mol
Exact Mass330.94
IUPAC Name2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1nccs1
InChIInChI=1S/C8H6BrN5O3S/c9-5-3-13(12-7(5)14(16)17)4-6(15)11-8-10-1-2-18-8/h1-3H,4H2,(H,10,11,15)
InChIKeyCIIKBHCKCNXLSX-UHFFFAOYSA-N
XLogP1.65
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1256222
3-(3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4766010
2-(3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258799
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 1259355
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1509843
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 2981764
4-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)butanamide
CID 1256469
2-(3-nitropyrazol-1-yl)-N-[4-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 87016975
2-(4-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4916121
1H-Pyrazole-1-acetamide, 4-iodo-N-(2-thiazolyl)-
CID 1511407
3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4290265
(2S)-2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 1257473

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 1278068) is 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cc(Br)c([N+](=O)[O-])n1)Nc1nccs1.
What is the InChIKey of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CIIKBHCKCNXLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN5O3S/c9-5-3-13(12-7(5)14(16)17)4-6(15)11-8-10-1-2-18-8/h1-3H,4H2,(H,10,11,15).
What are the key properties of 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 332.14 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1278068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).