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

C5H9ClN2OS — CID 75494244

IUPAC4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2OS.ClH/c6-2-1-4-3-9-5(8)7-4;/h3H,1-2,6H2,(H,7,8);1H
InChIKeyQLLDEOHYLSKSPD-UHFFFAOYSA-N
MW180.66 g/mol
LogP0.36
Rot. Bonds2

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

4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride (PubChem CID 75494244) has the molecular formula C5H9ClN2OS and a molecular weight of 180.66 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride.

Molecular Properties

Compound Name4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride
PubChem CID75494244
Molecular FormulaC5H9ClN2OS
Molecular Weight180.66 g/mol
Exact Mass180.01
IUPAC Name4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride
SMILESCl.NCCc1csc(=O)[nH]1
InChIInChI=1S/C5H8N2OS.ClH/c6-2-1-4-3-9-5(8)7-4;/h3H,1-2,6H2,(H,7,8);1H
InChIKeyQLLDEOHYLSKSPD-UHFFFAOYSA-N
XLogP0.36
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.66
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The IUPAC name of 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride (CID 75494244) is 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride.
What is the SMILES notation for 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The canonical SMILES for 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride is Cl.NCCc1csc(=O)[nH]1.
What is the InChIKey of 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride?
The InChIKey is QLLDEOHYLSKSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS.ClH/c6-2-1-4-3-9-5(8)7-4;/h3H,1-2,6H2,(H,7,8);1H.
What are the key properties of 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride?
4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride has a molecular weight of 180.66 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-3H-1,3-thiazol-2-one;hydrochloride is sourced from PubChem (CID 75494244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).