1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide

C5H7BrN2OS — CID 13130947

IUPAC1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
SMILESBr.CC(=O)c1cnc(N)s1
InChIInChI=1S/C5H6N2OS.BrH/c1-3(8)4-2-7-5(6)9-4;/h2H,1H3,(H2,6,7);1H
InChIKeyMGSOMWDJYPNKFY-UHFFFAOYSA-N
MW223.09 g/mol
LogP1.51
Rot. Bonds1

About 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide

1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide (PubChem CID 13130947) has the molecular formula C5H7BrN2OS and a molecular weight of 223.09 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
PubChem CID13130947
Molecular FormulaC5H7BrN2OS
Molecular Weight223.09 g/mol
Exact Mass221.95
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide
SMILESBr.CC(=O)c1cnc(N)s1
InChIInChI=1S/C5H6N2OS.BrH/c1-3(8)4-2-7-5(6)9-4;/h2H,1H3,(H2,6,7);1H
InChIKeyMGSOMWDJYPNKFY-UHFFFAOYSA-N
XLogP1.51
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.09
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide (CID 13130947) is 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide is Br.CC(=O)c1cnc(N)s1.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide?
The InChIKey is MGSOMWDJYPNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.BrH/c1-3(8)4-2-7-5(6)9-4;/h2H,1H3,(H2,6,7);1H.
What are the key properties of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide?
1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide has a molecular weight of 223.09 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrobromide is sourced from PubChem (CID 13130947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).