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

C9H14N6O2S — CID 80613286

IUPAC3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1Cc1nnc(NN)s1
InChIInChI=1S/C9H14N6O2S/c1-2-5-8(17)11-6(16)3-15(5)4-7-13-14-9(12-10)18-7/h5H,2-4,10H2,1H3,(H,12,14)(H,11,16,17)
InChIKeyNDTDFEADULSJOV-UHFFFAOYSA-N
MW270.32 g/mol
LogP-0.94
Rot. Bonds4

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

3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione (PubChem CID 80613286) has the molecular formula C9H14N6O2S and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
PubChem CID80613286
Molecular FormulaC9H14N6O2S
Molecular Weight270.32 g/mol
Exact Mass270.09
IUPAC Name3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1Cc1nnc(NN)s1
InChIInChI=1S/C9H14N6O2S/c1-2-5-8(17)11-6(16)3-15(5)4-7-13-14-9(12-10)18-7/h5H,2-4,10H2,1H3,(H,12,14)(H,11,16,17)
InChIKeyNDTDFEADULSJOV-UHFFFAOYSA-N
XLogP-0.94
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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'}

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Related Compounds

3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione
CID 80608077
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80613683
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 80613588
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
CID 66069169
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614764
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150
3-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067734
4-[(2-ethyl-3,5-dioxopiperazin-1-yl)methyl]pyridine-2-carbothioamide
CID 66067353
4-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-3-ethylpiperazine-2,6-dione
CID 66068577
3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
CID 103056602
4-[(3-amino-5-bromophenyl)methyl]-3-ethylpiperazine-2,6-dione
CID 103349987

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione (CID 80613286) is 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1Cc1nnc(NN)s1.
What is the InChIKey of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione?
The InChIKey is NDTDFEADULSJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2S/c1-2-5-8(17)11-6(16)3-15(5)4-7-13-14-9(12-10)18-7/h5H,2-4,10H2,1H3,(H,12,14)(H,11,16,17).
What are the key properties of 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione?
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione has a molecular weight of 270.32 g/mol, XLogP of -0.94, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 80613286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).