1-(1,3-thiazol-2-yl)ethanamine;hydrochloride

C5H9ClN2S — CID 56777102

IUPAC1-(1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nccs1.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H
InChIKeyKLQZMXLICFMMGL-UHFFFAOYSA-N
MW164.66 g/mol
LogP1.58
Rot. Bonds1

About 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride

1-(1,3-thiazol-2-yl)ethanamine;hydrochloride (PubChem CID 56777102) has the molecular formula C5H9ClN2S and a molecular weight of 164.66 g/mol. Its IUPAC name is 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,3-thiazol-2-yl)ethanamine;hydrochloride
PubChem CID56777102
Molecular FormulaC5H9ClN2S
Molecular Weight164.66 g/mol
Exact Mass164.02
IUPAC Name1-(1,3-thiazol-2-yl)ethanamine;hydrochloride
SMILESCC(N)c1nccs1.Cl
InChIInChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H
InChIKeyKLQZMXLICFMMGL-UHFFFAOYSA-N
XLogP1.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-thiazol-2-yl)ethanamine;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-(1,3-thiazol-2-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride (CID 56777102) is 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride is CC(N)c1nccs1.Cl.
What is the InChIKey of 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride?
The InChIKey is KLQZMXLICFMMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.ClH/c1-4(6)5-7-2-3-8-5;/h2-4H,6H2,1H3;1H.
What are the key properties of 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride?
1-(1,3-thiazol-2-yl)ethanamine;hydrochloride has a molecular weight of 164.66 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-thiazol-2-yl)ethanamine;hydrochloride is sourced from PubChem (CID 56777102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).