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

C7H9N3O4S — CID 3155137

IUPAC2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N3O4S/c1-2-14-4-5(11)9-7-8-3-6(15-7)10(12)13/h3H,2,4H2,1H3,(H,8,9,11)
InChIKeyHADOMBGXLMBQGR-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.03
Rot. Bonds5

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

2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide (PubChem CID 3155137) has the molecular formula C7H9N3O4S and a molecular weight of 231.23 g/mol. Its IUPAC name is 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide
PubChem CID3155137
Molecular FormulaC7H9N3O4S
Molecular Weight231.23 g/mol
Exact Mass231.03
IUPAC Name2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide
SMILESCCOCC(=O)Nc1ncc([N+](=O)[O-])s1
InChIInChI=1S/C7H9N3O4S/c1-2-14-4-5(11)9-7-8-3-6(15-7)10(12)13/h3H,2,4H2,1H3,(H,8,9,11)
InChIKeyHADOMBGXLMBQGR-UHFFFAOYSA-N
XLogP1.03
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.03
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-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide (CID 3155137) is 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide is CCOCC(=O)Nc1ncc([N+](=O)[O-])s1.
What is the InChIKey of 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
The InChIKey is HADOMBGXLMBQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4S/c1-2-14-4-5(11)9-7-8-3-6(15-7)10(12)13/h3H,2,4H2,1H3,(H,8,9,11).
What are the key properties of 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide?
2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide has a molecular weight of 231.23 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-nitro-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 3155137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).