1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea

C8H13N3O3S — CID 108890481

IUPAC1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C8H13N3O3S/c1-2-9-7(13)10-3-4-11-6(12)5-15-8(11)14/h2-5H2,1H3,(H2,9,10,13)
InChIKeyZSOMUJWQEFFILI-UHFFFAOYSA-N
MW231.28 g/mol
LogP0.00
Rot. Bonds4

About 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea

1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea (PubChem CID 108890481) has the molecular formula C8H13N3O3S and a molecular weight of 231.28 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea
PubChem CID108890481
Molecular FormulaC8H13N3O3S
Molecular Weight231.28 g/mol
Exact Mass231.07
IUPAC Name1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea
SMILESCCNC(=O)NCCN1C(=O)CSC1=O
InChIInChI=1S/C8H13N3O3S/c1-2-9-7(13)10-3-4-11-6(12)5-15-8(11)14/h2-5H2,1H3,(H2,9,10,13)
InChIKeyZSOMUJWQEFFILI-UHFFFAOYSA-N
XLogP0.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea 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 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea?
The IUPAC name of 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea (CID 108890481) is 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea.
What is the SMILES notation for 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea?
The canonical SMILES for 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea is CCNC(=O)NCCN1C(=O)CSC1=O.
What is the InChIKey of 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea?
The InChIKey is ZSOMUJWQEFFILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3S/c1-2-9-7(13)10-3-4-11-6(12)5-15-8(11)14/h2-5H2,1H3,(H2,9,10,13).
What are the key properties of 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea?
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea has a molecular weight of 231.28 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-ethylurea is sourced from PubChem (CID 108890481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).