2-(4-bromo-1,3-thiazol-2-yl)acetamide

C5H5BrN2OS — CID 68522317

IUPAC2-(4-bromo-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9)
InChIKeySLGCYXRMMGXJER-UHFFFAOYSA-N
MW221.08 g/mol
LogP0.93
Rot. Bonds2

About 2-(4-bromo-1,3-thiazol-2-yl)acetamide

2-(4-bromo-1,3-thiazol-2-yl)acetamide (PubChem CID 68522317) has the molecular formula C5H5BrN2OS and a molecular weight of 221.08 g/mol. Its IUPAC name is 2-(4-bromo-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-1,3-thiazol-2-yl)acetamide
PubChem CID68522317
Molecular FormulaC5H5BrN2OS
Molecular Weight221.08 g/mol
Exact Mass219.93
IUPAC Name2-(4-bromo-1,3-thiazol-2-yl)acetamide
SMILESNC(=O)Cc1nc(Br)cs1
InChIInChI=1S/C5H5BrN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9)
InChIKeySLGCYXRMMGXJER-UHFFFAOYSA-N
XLogP0.93
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.08
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-bromo-1,3-thiazol-2-yl)acetamide (CID 68522317) is 2-(4-bromo-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-bromo-1,3-thiazol-2-yl)acetamide is NC(=O)Cc1nc(Br)cs1.
What is the InChIKey of 2-(4-bromo-1,3-thiazol-2-yl)acetamide?
The InChIKey is SLGCYXRMMGXJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrN2OS/c6-3-2-10-5(8-3)1-4(7)9/h2H,1H2,(H2,7,9).
What are the key properties of 2-(4-bromo-1,3-thiazol-2-yl)acetamide?
2-(4-bromo-1,3-thiazol-2-yl)acetamide has a molecular weight of 221.08 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 68522317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).