3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione

C7H10N2O2S — CID 72716703

IUPAC3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNC1
InChIInChI=1S/C7H10N2O2S/c10-6-4-12-7(11)9(6)5-1-2-8-3-5/h5,8H,1-4H2
InChIKeyNSMFKWBTMPTRPZ-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.04
Rot. Bonds1

About 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione

3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione (PubChem CID 72716703) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione
PubChem CID72716703
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione
SMILESO=C1CSC(=O)N1C1CCNC1
InChIInChI=1S/C7H10N2O2S/c10-6-4-12-7(11)9(6)5-1-2-8-3-5/h5,8H,1-4H2
InChIKeyNSMFKWBTMPTRPZ-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.04
H-Bond Donors ≤ 51
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-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione?
The IUPAC name of 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione (CID 72716703) is 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione is O=C1CSC(=O)N1C1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione?
The InChIKey is NSMFKWBTMPTRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c10-6-4-12-7(11)9(6)5-1-2-8-3-5/h5,8H,1-4H2.
What are the key properties of 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione?
3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione has a molecular weight of 186.24 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 72716703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).