N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide

C7H9BrN2O2S — CID 22170710

IUPACN-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O2S/c1-2-12-4-6(11)10-7-9-3-5(8)13-7/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyKFERRDYJHLLZCX-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.88
Rot. Bonds4

About N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide

N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide (PubChem CID 22170710) has the molecular formula C7H9BrN2O2S and a molecular weight of 265.13 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide
PubChem CID22170710
Molecular FormulaC7H9BrN2O2S
Molecular Weight265.13 g/mol
Exact Mass263.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1ncc(Br)s1
InChIInChI=1S/C7H9BrN2O2S/c1-2-12-4-6(11)10-7-9-3-5(8)13-7/h3H,2,4H2,1H3,(H,9,10,11)
InChIKeyKFERRDYJHLLZCX-UHFFFAOYSA-N
XLogP1.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide (CID 22170710) is N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide is CCOCC(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide?
The InChIKey is KFERRDYJHLLZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2S/c1-2-12-4-6(11)10-7-9-3-5(8)13-7/h3H,2,4H2,1H3,(H,9,10,11).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide?
N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide has a molecular weight of 265.13 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-2-ethoxyacetamide is sourced from PubChem (CID 22170710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).