(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione

C10H12N2O3S — CID 1346020

IUPAC(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C(=O)N2CCCCC2)S1
InChIInChI=1S/C10H12N2O3S/c13-8(12-4-2-1-3-5-12)6-7-9(14)11-10(15)16-7/h6H,1-5H2,(H,11,14,15)/b7-6+
InChIKeyCOROSRIPUHRTOW-VOTSOKGWSA-N
MW240.28 g/mol
LogP0.87
Rot. Bonds1

About (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione

(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione (PubChem CID 1346020) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione
PubChem CID1346020
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\C(=O)N2CCCCC2)S1
InChIInChI=1S/C10H12N2O3S/c13-8(12-4-2-1-3-5-12)6-7-9(14)11-10(15)16-7/h6H,1-5H2,(H,11,14,15)/b7-6+
InChIKeyCOROSRIPUHRTOW-VOTSOKGWSA-N
XLogP0.87
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione (CID 1346020) is (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\C(=O)N2CCCCC2)S1.
What is the InChIKey of (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione?
The InChIKey is COROSRIPUHRTOW-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H12N2O3S/c13-8(12-4-2-1-3-5-12)6-7-9(14)11-10(15)16-7/h6H,1-5H2,(H,11,14,15)/b7-6+.
What are the key properties of (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione?
(5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione has a molecular weight of 240.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-(2-oxo-2-piperidin-1-ylethylidene)-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 1346020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).