3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione

C7H12N2O2S — CID 86176840

IUPAC3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)CSC1=O
InChIInChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h3-5H2,1-2H3
InChIKeyQFSDPNKMGCHTQZ-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.24
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione

3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione (PubChem CID 86176840) has the molecular formula C7H12N2O2S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione
PubChem CID86176840
Molecular FormulaC7H12N2O2S
Molecular Weight188.25 g/mol
Exact Mass188.06
IUPAC Name3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione
SMILESCN(C)CCN1C(=O)CSC1=O
InChIInChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h3-5H2,1-2H3
InChIKeyQFSDPNKMGCHTQZ-UHFFFAOYSA-N
XLogP0.24
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione (CID 86176840) is 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione is CN(C)CCN1C(=O)CSC1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is QFSDPNKMGCHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2S/c1-8(2)3-4-9-6(10)5-12-7(9)11/h3-5H2,1-2H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 188.25 g/mol, XLogP of 0.24, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 86176840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).