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

C5H5N3O3S — CID 10261859

IUPACN-(4-nitro-1,2-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1sncc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3S/c1-3(9)7-5-4(8(10)11)2-6-12-5/h2H,1H3,(H,7,9)
InChIKeyXAIQJNBBVILKCH-UHFFFAOYSA-N
MW187.18 g/mol
LogP1.01
Rot. Bonds2

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

N-(4-nitro-1,2-thiazol-5-yl)acetamide (PubChem CID 10261859) has the molecular formula C5H5N3O3S and a molecular weight of 187.18 g/mol. Its IUPAC name is N-(4-nitro-1,2-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(4-nitro-1,2-thiazol-5-yl)acetamide
PubChem CID10261859
Molecular FormulaC5H5N3O3S
Molecular Weight187.18 g/mol
Exact Mass187.01
IUPAC NameN-(4-nitro-1,2-thiazol-5-yl)acetamide
SMILESCC(=O)Nc1sncc1[N+](=O)[O-]
InChIInChI=1S/C5H5N3O3S/c1-3(9)7-5-4(8(10)11)2-6-12-5/h2H,1H3,(H,7,9)
InChIKeyXAIQJNBBVILKCH-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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Frequently Asked Questions

What is the IUPAC name of N-(4-nitro-1,2-thiazol-5-yl)acetamide?
The IUPAC name of N-(4-nitro-1,2-thiazol-5-yl)acetamide (CID 10261859) is N-(4-nitro-1,2-thiazol-5-yl)acetamide.
What is the SMILES notation for N-(4-nitro-1,2-thiazol-5-yl)acetamide?
The canonical SMILES for N-(4-nitro-1,2-thiazol-5-yl)acetamide is CC(=O)Nc1sncc1[N+](=O)[O-].
What is the InChIKey of N-(4-nitro-1,2-thiazol-5-yl)acetamide?
The InChIKey is XAIQJNBBVILKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O3S/c1-3(9)7-5-4(8(10)11)2-6-12-5/h2H,1H3,(H,7,9).
What are the key properties of N-(4-nitro-1,2-thiazol-5-yl)acetamide?
N-(4-nitro-1,2-thiazol-5-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-(4-nitro-1,2-thiazol-5-yl)acetamide is sourced from PubChem (CID 10261859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).