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

C11H9N3O4S — CID 881517

IUPAC2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1nccs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-12-4-5-19-11)7-18-9-3-1-2-8(6-9)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyHZPIHRTVDRKBRT-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.07
Rot. Bonds5

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

2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 881517) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID881517
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(COc1cccc([N+](=O)[O-])c1)Nc1nccs1
InChIInChI=1S/C11H9N3O4S/c15-10(13-11-12-4-5-19-11)7-18-9-3-1-2-8(6-9)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyHZPIHRTVDRKBRT-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide (CID 881517) is 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide is O=C(COc1cccc([N+](=O)[O-])c1)Nc1nccs1.
What is the InChIKey of 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is HZPIHRTVDRKBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c15-10(13-11-12-4-5-19-11)7-18-9-3-1-2-8(6-9)14(16)17/h1-6H,7H2,(H,12,13,15).
What are the key properties of 2-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide?
2-(3-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-(3-nitrophenoxy)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 881517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).