3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione

C8H14N2O3S — CID 43165950

IUPAC3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
SMILESCCNCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H14N2O3S/c1-2-9-3-6(11)4-10-7(12)5-14-8(10)13/h6,9,11H,2-5H2,1H3
InChIKeyQYMVRPMXHDNLJM-UHFFFAOYSA-N
MW218.28 g/mol
LogP-0.35
Rot. Bonds5

About 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione

3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione (PubChem CID 43165950) has the molecular formula C8H14N2O3S and a molecular weight of 218.28 g/mol. Its IUPAC name is 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
PubChem CID43165950
Molecular FormulaC8H14N2O3S
Molecular Weight218.28 g/mol
Exact Mass218.07
IUPAC Name3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione
SMILESCCNCC(O)CN1C(=O)CSC1=O
InChIInChI=1S/C8H14N2O3S/c1-2-9-3-6(11)4-10-7(12)5-14-8(10)13/h6,9,11H,2-5H2,1H3
InChIKeyQYMVRPMXHDNLJM-UHFFFAOYSA-N
XLogP-0.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione 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-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione (CID 43165950) is 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione is CCNCC(O)CN1C(=O)CSC1=O.
What is the InChIKey of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QYMVRPMXHDNLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3S/c1-2-9-3-6(11)4-10-7(12)5-14-8(10)13/h6,9,11H,2-5H2,1H3.
What are the key properties of 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione?
3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 218.28 g/mol, XLogP of -0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(ethylamino)-2-hydroxypropyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 43165950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).