3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride

C5H9ClN2OS — CID 122163880

IUPAC3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCCn1ccsc1=O
InChIInChI=1S/C5H8N2OS.ClH/c6-1-2-7-3-4-9-5(7)8;/h3-4H,1-2,6H2;1H
InChIKeyCPVZBZVWARIASI-UHFFFAOYSA-N
MW180.66 g/mol
LogP0.29
Rot. Bonds2

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

3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride (PubChem CID 122163880) has the molecular formula C5H9ClN2OS and a molecular weight of 180.66 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride
PubChem CID122163880
Molecular FormulaC5H9ClN2OS
Molecular Weight180.66 g/mol
Exact Mass180.01
IUPAC Name3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCCn1ccsc1=O
InChIInChI=1S/C5H8N2OS.ClH/c6-1-2-7-3-4-9-5(7)8;/h3-4H,1-2,6H2;1H
InChIKeyCPVZBZVWARIASI-UHFFFAOYSA-N
XLogP0.29
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride (CID 122163880) is 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride is Cl.NCCn1ccsc1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride?
The InChIKey is CPVZBZVWARIASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.ClH/c6-1-2-7-3-4-9-5(7)8;/h3-4H,1-2,6H2;1H.
What are the key properties of 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride?
3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride has a molecular weight of 180.66 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 122163880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).