2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide

C11H9N3O4S — CID 717241

IUPAC2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1nccs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-12-5-6-19-11)7-18-9-4-2-1-3-8(9)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyNPHCEWQRFBRFAY-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.07
Rot. Bonds5

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

2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 717241) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID717241
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1ccccc1[N+](=O)[O-])Nc1nccs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-12-5-6-19-11)7-18-9-4-2-1-3-8(9)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyNPHCEWQRFBRFAY-UHFFFAOYSA-N
XLogP2.07
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
N-(5-nitro-1,3-thiazol-2-yl)-2-phenoxybutanamide
CID 2947324
2-(4-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 693869
[2-[(5-Nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 4274507
Ethyl 2-[2-[[2-(2-nitrophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate
CID 1082191
N-cyclohexyl-2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 17438338
N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}-2-phenoxypropanamide
CID 2905634
2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 881517
2-[4-(2-ethoxyphenyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 1443635
2-(2-fluorophenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 2472905
2-(3-fluorophenoxy)-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 21537905
1-(5-Fluoro-2-isobutoxy-phenyl)-3-thiazol-2-yl-urea
CID 59733029

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 717241) is 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide is O=C(COc1ccccc1[N+](=O)[O-])Nc1nccs1.
What is the InChIKey of 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NPHCEWQRFBRFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-10(13-11-12-5-6-19-11)7-18-9-4-2-1-3-8(9)14(16)17/h1-6H,7H2,(H,12,13,15).
What are the key properties of 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 279.28 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 717241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).