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

C11H9N3O3S — CID 2726122

IUPAC2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyZJHNYEVHAYKTAV-UHFFFAOYSA-N
MW263.28 g/mol
LogP2.23
Rot. Bonds4

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

2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 2726122) has the molecular formula C11H9N3O3S and a molecular weight of 263.28 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID2726122
Molecular FormulaC11H9N3O3S
Molecular Weight263.28 g/mol
Exact Mass263.04
IUPAC Name2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nccs1
InChIInChI=1S/C11H9N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15)
InChIKeyZJHNYEVHAYKTAV-UHFFFAOYSA-N
XLogP2.23
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 52.23
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 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide (CID 2726122) is 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1nccs1.
What is the InChIKey of 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is ZJHNYEVHAYKTAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3S/c15-10(13-11-12-5-6-18-11)7-8-1-3-9(4-2-8)14(16)17/h1-6H,7H2,(H,12,13,15).
What are the key properties of 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide?
2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 263.28 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 2726122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).