2-(1,2-thiazol-5-yl)ethanamine;hydrochloride

C5H9ClN2S — CID 126796216

IUPAC2-(1,2-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccns1
InChIInChI=1S/C5H8N2S.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H
InChIKeyQHKYTWAHGSVUIX-UHFFFAOYSA-N
MW164.66 g/mol
LogP1.07
Rot. Bonds2

About 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride

2-(1,2-thiazol-5-yl)ethanamine;hydrochloride (PubChem CID 126796216) has the molecular formula C5H9ClN2S and a molecular weight of 164.66 g/mol. Its IUPAC name is 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2-thiazol-5-yl)ethanamine;hydrochloride
PubChem CID126796216
Molecular FormulaC5H9ClN2S
Molecular Weight164.66 g/mol
Exact Mass164.02
IUPAC Name2-(1,2-thiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ccns1
InChIInChI=1S/C5H8N2S.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H
InChIKeyQHKYTWAHGSVUIX-UHFFFAOYSA-N
XLogP1.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.66
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride (CID 126796216) is 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1ccns1.
What is the InChIKey of 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is QHKYTWAHGSVUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2S.ClH/c6-3-1-5-2-4-7-8-5;/h2,4H,1,3,6H2;1H.
What are the key properties of 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride?
2-(1,2-thiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 164.66 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-thiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 126796216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).