3-(2-aminoethyl)-1,3-thiazolidin-2-one

C5H10N2OS — CID 82502518

IUPAC3-(2-aminoethyl)-1,3-thiazolidin-2-one
SMILESNCCN1CCSC1=O
InChIInChI=1S/C5H10N2OS/c6-1-2-7-3-4-9-5(7)8/h1-4,6H2
InChIKeyRYEAESHUXGWNDY-UHFFFAOYSA-N
MW146.22 g/mol
LogP0.11
Rot. Bonds2

About 3-(2-aminoethyl)-1,3-thiazolidin-2-one

3-(2-aminoethyl)-1,3-thiazolidin-2-one (PubChem CID 82502518) has the molecular formula C5H10N2OS and a molecular weight of 146.22 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-thiazolidin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-thiazolidin-2-one
PubChem CID82502518
Molecular FormulaC5H10N2OS
Molecular Weight146.22 g/mol
Exact Mass146.05
IUPAC Name3-(2-aminoethyl)-1,3-thiazolidin-2-one
SMILESNCCN1CCSC1=O
InChIInChI=1S/C5H10N2OS/c6-1-2-7-3-4-9-5(7)8/h1-4,6H2
InChIKeyRYEAESHUXGWNDY-UHFFFAOYSA-N
XLogP0.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-thiazolidin-2-one?
The IUPAC name of 3-(2-aminoethyl)-1,3-thiazolidin-2-one (CID 82502518) is 3-(2-aminoethyl)-1,3-thiazolidin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-thiazolidin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1,3-thiazolidin-2-one is NCCN1CCSC1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-thiazolidin-2-one?
The InChIKey is RYEAESHUXGWNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2OS/c6-1-2-7-3-4-9-5(7)8/h1-4,6H2.
What are the key properties of 3-(2-aminoethyl)-1,3-thiazolidin-2-one?
3-(2-aminoethyl)-1,3-thiazolidin-2-one has a molecular weight of 146.22 g/mol, XLogP of 0.11, 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-2-one is sourced from PubChem (CID 82502518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).