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

C5H5N3O3S — CID 8798

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IUPACN-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
InChIKeyUJRRDDHEMZLWFI-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.01
Rot. Bonds2

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

N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 8798) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID8798
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC NameN-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9)
InChIKeyUJRRDDHEMZLWFI-UHFFFAOYSA-N
XLogP1.01
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.18
LogP ≤ 51.01
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

Niridazole
CID 6093
2-Amino-5-Nitrothiazole
CID 8486
N-Ethyl-N'-(5-nitro-2-thiazolyl)urea
CID 8776
Butanamide, 3-methyl-N-(5-nitro-2-thiazolyl)-
CID 3810730
N-(5-nitro-1,3-thiazol-2-yl)butanamide
CID 323571
N-(5-nitro-1,3-thiazol-2-yl)pentanamide
CID 324461
N-(5-nitro-1,3-thiazol-2-yl)hexanamide
CID 324462
N-(5-nitro-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3778536
Forminitrazole
CID 219073
Ethyl [(5-nitro-1,3-thiazol-2-yl)amino](oxo)acetate
CID 2836428
N-(5-nitro-1,3-thiazol-2-yl)-2-pyrrolidin-1-ylacetamide
CID 3555194
N-(5-nitro-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 4454937

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 8798) is N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for N-(5-nitro-1,3-thiazol-2-yl)acetamide is CC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is UJRRDDHEMZLWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c1-3(9)7-5-6-2-4(12-5)8(10)11/h2H,1H3,(H,6,7,9).
What are the key properties of N-(5-nitro-1,3-thiazol-2-yl)acetamide?
N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 187.18 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 8798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).