2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide

C5H7BrN2OS — CID 66699092

IUPAC2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide
SMILESNC(=O)CN1C=CSC1Br
InChIInChI=1S/C5H7BrN2OS/c6-5-8(1-2-10-5)3-4(7)9/h1-2,5H,3H2,(H2,7,9)
InChIKeyROLNZBCKTGUWRM-UHFFFAOYSA-N
MW223.09 g/mol
LogP0.67
Rot. Bonds2

About 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide

2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide (PubChem CID 66699092) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide
PubChem CID66699092
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide
SMILESNC(=O)CN1C=CSC1Br
InChIInChI=1S/C5H7BrN2OS/c6-5-8(1-2-10-5)3-4(7)9/h1-2,5H,3H2,(H2,7,9)
InChIKeyROLNZBCKTGUWRM-UHFFFAOYSA-N
XLogP0.67
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide?
The IUPAC name of 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide (CID 66699092) is 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide is NC(=O)CN1C=CSC1Br.
What is the InChIKey of 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide?
The InChIKey is ROLNZBCKTGUWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7BrN2OS/c6-5-8(1-2-10-5)3-4(7)9/h1-2,5H,3H2,(H2,7,9).
What are the key properties of 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide?
2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide has a molecular weight of 223.09 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2H-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 66699092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).