2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide

C5H9BrN2OS — CID 173084099

IUPAC2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide
SMILESBr.NC(=O)CN1C=CSC1
InChIInChI=1S/C5H8N2OS.BrH/c6-5(8)3-7-1-2-9-4-7;/h1-2H,3-4H2,(H2,6,8);1H
InChIKeyYKACDVSWEJVQIU-UHFFFAOYSA-N
MW225.11 g/mol
LogP0.53
Rot. Bonds2

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

2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide (PubChem CID 173084099) has the molecular formula C5H9BrN2OS and a molecular weight of 225.11 g/mol. Its IUPAC name is 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide.

Molecular Properties

Compound Name2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide
PubChem CID173084099
Molecular FormulaC5H9BrN2OS
Molecular Weight225.11 g/mol
Exact Mass223.96
IUPAC Name2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide
SMILESBr.NC(=O)CN1C=CSC1
InChIInChI=1S/C5H8N2OS.BrH/c6-5(8)3-7-1-2-9-4-7;/h1-2H,3-4H2,(H2,6,8);1H
InChIKeyYKACDVSWEJVQIU-UHFFFAOYSA-N
XLogP0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The IUPAC name of 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide (CID 173084099) is 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide.
What is the SMILES notation for 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The canonical SMILES for 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide is Br.NC(=O)CN1C=CSC1.
What is the InChIKey of 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
The InChIKey is YKACDVSWEJVQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.BrH/c6-5(8)3-7-1-2-9-4-7;/h1-2H,3-4H2,(H2,6,8);1H.
What are the key properties of 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide?
2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide has a molecular weight of 225.11 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-1,3-thiazol-3-yl)acetamide;hydrobromide is sourced from PubChem (CID 173084099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).