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

C10H15N5O2S — CID 80608077

IUPAC3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1Cc1nnc(NC)s1
InChIInChI=1S/C10H15N5O2S/c1-3-6-9(17)12-7(16)4-15(6)5-8-13-14-10(11-2)18-8/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16,17)
InChIKeyLVKPEDBHPGZTNU-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.18
Rot. Bonds4

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

3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione (PubChem CID 80608077) has the molecular formula C10H15N5O2S and a molecular weight of 269.33 g/mol. Its IUPAC name is 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione
PubChem CID80608077
Molecular FormulaC10H15N5O2S
Molecular Weight269.33 g/mol
Exact Mass269.09
IUPAC Name3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione
SMILESCCC1C(=O)NC(=O)CN1Cc1nnc(NC)s1
InChIInChI=1S/C10H15N5O2S/c1-3-6-9(17)12-7(16)4-15(6)5-8-13-14-10(11-2)18-8/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16,17)
InChIKeyLVKPEDBHPGZTNU-UHFFFAOYSA-N
XLogP-0.18
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazine-2,6-dione
CID 80613286
3-ethyl-4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]piperazin-2-one
CID 80613683
3-ethyl-4-[[5-(propylamino)thiadiazol-4-yl]methyl]piperazine-2,6-dione
CID 66067235
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-1,4-diazepan-5-one
CID 80606832
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetonitrile
CID 66067150
3-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,6-dione
CID 103056602
2-(2-ethyl-3,5-dioxopiperazin-1-yl)acetohydrazide
CID 66069169
3-ethyl-4-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]piperazine-2,6-dione
CID 66068578
3-ethyl-4-[[4-(ethylamino)-2-pyridinyl]methyl]piperazine-2,6-dione
CID 79250855
N-methyl-5-[(2-propylpiperidin-1-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 83061444
1-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidine-2-carboxamide
CID 80606665
5-methyl-2-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513888

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione?
The IUPAC name of 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione (CID 80608077) is 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione?
The canonical SMILES for 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione is CCC1C(=O)NC(=O)CN1Cc1nnc(NC)s1.
What is the InChIKey of 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione?
The InChIKey is LVKPEDBHPGZTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2S/c1-3-6-9(17)12-7(16)4-15(6)5-8-13-14-10(11-2)18-8/h6H,3-5H2,1-2H3,(H,11,14)(H,12,16,17).
What are the key properties of 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione?
3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione has a molecular weight of 269.33 g/mol, XLogP of -0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methyl]piperazine-2,6-dione is sourced from PubChem (CID 80608077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).