4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione

C8H11N5O2S — CID 79765813

IUPAC4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione
SMILESNNc1ncc(CN2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C8H11N5O2S/c9-12-8-10-1-5(16-8)2-13-3-6(14)11-7(15)4-13/h1H,2-4,9H2,(H,10,12)(H,11,14,15)
InChIKeyGTXSBPZOHDTPOJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP-1.11
Rot. Bonds3

About 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione

4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione (PubChem CID 79765813) has the molecular formula C8H11N5O2S and a molecular weight of 241.28 g/mol. Its IUPAC name is 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione
PubChem CID79765813
Molecular FormulaC8H11N5O2S
Molecular Weight241.28 g/mol
Exact Mass241.06
IUPAC Name4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione
SMILESNNc1ncc(CN2CC(=O)NC(=O)C2)s1
InChIInChI=1S/C8H11N5O2S/c9-12-8-10-1-5(16-8)2-13-3-6(14)11-7(15)4-13/h1H,2-4,9H2,(H,10,12)(H,11,14,15)
InChIKeyGTXSBPZOHDTPOJ-UHFFFAOYSA-N
XLogP-1.11
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-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 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione (CID 79765813) is 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione is NNc1ncc(CN2CC(=O)NC(=O)C2)s1.
What is the InChIKey of 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione?
The InChIKey is GTXSBPZOHDTPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2S/c9-12-8-10-1-5(16-8)2-13-3-6(14)11-7(15)4-13/h1H,2-4,9H2,(H,10,12)(H,11,14,15).
What are the key properties of 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione?
4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione has a molecular weight of 241.28 g/mol, XLogP of -1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydrazinyl-1,3-thiazol-5-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 79765813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).