3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride

C5H11ClN2OS — CID 141258240

IUPAC3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NCCN1CSCC1=O
InChIInChI=1S/C5H10N2OS.ClH/c6-1-2-7-4-9-3-5(7)8;/h1-4,6H2;1H
InChIKeyPFYXQINWAXZDHI-UHFFFAOYSA-N
MW182.68 g/mol
LogP-0.10
Rot. Bonds2

About 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride

3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride (PubChem CID 141258240) has the molecular formula C5H11ClN2OS and a molecular weight of 182.68 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride
PubChem CID141258240
Molecular FormulaC5H11ClN2OS
Molecular Weight182.68 g/mol
Exact Mass182.03
IUPAC Name3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride
SMILESCl.NCCN1CSCC1=O
InChIInChI=1S/C5H10N2OS.ClH/c6-1-2-7-4-9-3-5(7)8;/h1-4,6H2;1H
InChIKeyPFYXQINWAXZDHI-UHFFFAOYSA-N
XLogP-0.10
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.68
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride (CID 141258240) is 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride is Cl.NCCN1CSCC1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride?
The InChIKey is PFYXQINWAXZDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS.ClH/c6-1-2-7-4-9-3-5(7)8;/h1-4,6H2;1H.
What are the key properties of 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride?
3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride has a molecular weight of 182.68 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,3-thiazolidin-4-one;hydrochloride is sourced from PubChem (CID 141258240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).