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

C6H6BrN3O2S — CID 3572888

IUPACN'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H6BrN3O2S/c1-8-4(11)5(12)10-6-9-2-3(7)13-6/h2H,1H3,(H,8,11)(H,9,10,12)
InChIKeyZPAWAILKKSAGFD-UHFFFAOYSA-N
MW264.10 g/mol
LogP0.59
Rot. Bonds1

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

N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide (PubChem CID 3572888) has the molecular formula C6H6BrN3O2S and a molecular weight of 264.10 g/mol. Its IUPAC name is N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide.

Molecular Properties

Compound NameN'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide
PubChem CID3572888
Molecular FormulaC6H6BrN3O2S
Molecular Weight264.10 g/mol
Exact Mass262.94
IUPAC NameN'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide
SMILESCNC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C6H6BrN3O2S/c1-8-4(11)5(12)10-6-9-2-3(7)13-6/h2H,1H3,(H,8,11)(H,9,10,12)
InChIKeyZPAWAILKKSAGFD-UHFFFAOYSA-N
XLogP0.59
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.10
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide?
The IUPAC name of N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide (CID 3572888) is N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide.
What is the SMILES notation for N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide?
The canonical SMILES for N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide is CNC(=O)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide?
The InChIKey is ZPAWAILKKSAGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN3O2S/c1-8-4(11)5(12)10-6-9-2-3(7)13-6/h2H,1H3,(H,8,11)(H,9,10,12).
What are the key properties of N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide?
N'-(5-bromo-1,3-thiazol-2-yl)-N-methyloxamide has a molecular weight of 264.10 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 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)-N-methyloxamide is sourced from PubChem (CID 3572888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).