(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

C9H13N3O2S — CID 18936717

IUPAC(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(/C=C2\SC(=O)NC2=O)CC1
InChIInChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)6-7-8(13)10-9(14)15-7/h6H,2-5H2,1H3,(H,10,13,14)/b7-6-
InChIKeyAMKQDVKFKUZLKO-SREVYHEPSA-N
MW227.29 g/mol
LogP0.06
Rot. Bonds1

About (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 18936717) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID18936717
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC Name(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESCN1CCN(/C=C2\SC(=O)NC2=O)CC1
InChIInChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)6-7-8(13)10-9(14)15-7/h6H,2-5H2,1H3,(H,10,13,14)/b7-6-
InChIKeyAMKQDVKFKUZLKO-SREVYHEPSA-N
XLogP0.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-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 (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 18936717) is (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is CN1CCN(/C=C2\SC(=O)NC2=O)CC1.
What is the InChIKey of (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is AMKQDVKFKUZLKO-SREVYHEPSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-11-2-4-12(5-3-11)6-7-8(13)10-9(14)15-7/h6H,2-5H2,1H3,(H,10,13,14)/b7-6-.
What are the key properties of (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 227.29 g/mol, XLogP of 0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(4-methylpiperazin-1-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 18936717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).