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

C5H4BrN3O2S — CID 3578769

IUPACN'-(5-bromo-1,3-thiazol-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C5H4BrN3O2S/c6-2-1-8-5(12-2)9-4(11)3(7)10/h1H,(H2,7,10)(H,8,9,11)
InChIKeyZORWZGCZCJRADC-UHFFFAOYSA-N
MW250.08 g/mol
LogP0.33
Rot. Bonds1

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

N'-(5-bromo-1,3-thiazol-2-yl)oxamide (PubChem CID 3578769) has the molecular formula C5H4BrN3O2S and a molecular weight of 250.08 g/mol. Its IUPAC name is N'-(5-bromo-1,3-thiazol-2-yl)oxamide.

Molecular Properties

Compound NameN'-(5-bromo-1,3-thiazol-2-yl)oxamide
PubChem CID3578769
Molecular FormulaC5H4BrN3O2S
Molecular Weight250.08 g/mol
Exact Mass248.92
IUPAC NameN'-(5-bromo-1,3-thiazol-2-yl)oxamide
SMILESNC(=O)C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C5H4BrN3O2S/c6-2-1-8-5(12-2)9-4(11)3(7)10/h1H,(H2,7,10)(H,8,9,11)
InChIKeyZORWZGCZCJRADC-UHFFFAOYSA-N
XLogP0.33
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 50.33
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)oxamide?
The IUPAC name of N'-(5-bromo-1,3-thiazol-2-yl)oxamide (CID 3578769) is N'-(5-bromo-1,3-thiazol-2-yl)oxamide.
What is the SMILES notation for N'-(5-bromo-1,3-thiazol-2-yl)oxamide?
The canonical SMILES for N'-(5-bromo-1,3-thiazol-2-yl)oxamide is NC(=O)C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N'-(5-bromo-1,3-thiazol-2-yl)oxamide?
The InChIKey is ZORWZGCZCJRADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4BrN3O2S/c6-2-1-8-5(12-2)9-4(11)3(7)10/h1H,(H2,7,10)(H,8,9,11).
What are the key properties of N'-(5-bromo-1,3-thiazol-2-yl)oxamide?
N'-(5-bromo-1,3-thiazol-2-yl)oxamide has a molecular weight of 250.08 g/mol, XLogP of 0.33, 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)oxamide is sourced from PubChem (CID 3578769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).