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

C5H8N2OS — CID 63312349

IUPAC3-(2-aminoethyl)-1,3-thiazol-2-one
SMILESNCCn1ccsc1=O
InChIInChI=1S/C5H8N2OS/c6-1-2-7-3-4-9-5(7)8/h3-4H,1-2,6H2
InChIKeyQOWLYDVACKDWCY-UHFFFAOYSA-N
MW144.20 g/mol
LogP-0.13
Rot. Bonds2

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

3-(2-aminoethyl)-1,3-thiazol-2-one (PubChem CID 63312349) has the molecular formula C5H8N2OS and a molecular weight of 144.20 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-thiazol-2-one
PubChem CID63312349
Molecular FormulaC5H8N2OS
Molecular Weight144.20 g/mol
Exact Mass144.04
IUPAC Name3-(2-aminoethyl)-1,3-thiazol-2-one
SMILESNCCn1ccsc1=O
InChIInChI=1S/C5H8N2OS/c6-1-2-7-3-4-9-5(7)8/h3-4H,1-2,6H2
InChIKeyQOWLYDVACKDWCY-UHFFFAOYSA-N
XLogP-0.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-aminoethyl)-1,3-thiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-thiazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-1,3-thiazol-2-one (CID 63312349) is 3-(2-aminoethyl)-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-1,3-thiazol-2-one is NCCn1ccsc1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-thiazol-2-one?
The InChIKey is QOWLYDVACKDWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2OS/c6-1-2-7-3-4-9-5(7)8/h3-4H,1-2,6H2.
What are the key properties of 3-(2-aminoethyl)-1,3-thiazol-2-one?
3-(2-aminoethyl)-1,3-thiazol-2-one has a molecular weight of 144.20 g/mol, XLogP of -0.13, 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 is sourced from PubChem (CID 63312349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).