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

C5H7ClN2OS — CID 54594116

IUPAC1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1cnc(N)s1.Cl
InChIInChI=1S/C5H6N2OS.ClH/c1-3(8)4-2-7-5(6)9-4;/h2H,1H3,(H2,6,7);1H
InChIKeyHUFIQVKVOIZQDF-UHFFFAOYSA-N
MW178.64 g/mol
LogP1.35
Rot. Bonds1

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

1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride (PubChem CID 54594116) has the molecular formula C5H7ClN2OS and a molecular weight of 178.64 g/mol. Its IUPAC name is 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride
PubChem CID54594116
Molecular FormulaC5H7ClN2OS
Molecular Weight178.64 g/mol
Exact Mass178.00
IUPAC Name1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride
SMILESCC(=O)c1cnc(N)s1.Cl
InChIInChI=1S/C5H6N2OS.ClH/c1-3(8)4-2-7-5(6)9-4;/h2H,1H3,(H2,6,7);1H
InChIKeyHUFIQVKVOIZQDF-UHFFFAOYSA-N
XLogP1.35
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.64
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride 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;hydrochloride?
The IUPAC name of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride (CID 54594116) is 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride is CC(=O)c1cnc(N)s1.Cl.
What is the InChIKey of 1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride?
The InChIKey is HUFIQVKVOIZQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS.ClH/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;hydrochloride?
1-(2-amino-1,3-thiazol-5-yl)ethanone;hydrochloride has a molecular weight of 178.64 g/mol, XLogP of 1.35, 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;hydrochloride is sourced from PubChem (CID 54594116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).