4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one

C11H19N5OS — CID 104512795

IUPAC4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(Cc2nnc(NN)s2)C1
InChIInChI=1S/C11H19N5OS/c1-11(2,3)7-4-9(17)16(5-7)6-8-14-15-10(13-12)18-8/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyOKYXDVUMNSZOGG-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.22
Rot. Bonds3

About 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one

4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one (PubChem CID 104512795) has the molecular formula C11H19N5OS and a molecular weight of 269.37 g/mol. Its IUPAC name is 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
PubChem CID104512795
Molecular FormulaC11H19N5OS
Molecular Weight269.37 g/mol
Exact Mass269.13
IUPAC Name4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(Cc2nnc(NN)s2)C1
InChIInChI=1S/C11H19N5OS/c1-11(2,3)7-4-9(17)16(5-7)6-8-14-15-10(13-12)18-8/h7H,4-6,12H2,1-3H3,(H,13,15)
InChIKeyOKYXDVUMNSZOGG-UHFFFAOYSA-N
XLogP1.22
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]pyrrolidin-2-one
CID 80609094
[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80613685
4-tert-butyl-1-[(3-chloro-6-hydrazinyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 104512793
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-4-methylpyrrolidin-2-one
CID 80608552
1-[(2R)-2-aminopropyl]-4-tert-butylpyrrolidin-2-one
CID 104511523
3-(4-tert-butyl-2-oxopyrrolidin-1-yl)-2,2-dimethylpropanehydrazide
CID 104512871
1-[2-(bromomethyl)-2-ethylbutyl]-4-tert-butylpyrrolidin-2-one
CID 104511311
1-(2-amino-2-cyclopropylethyl)-4-tert-butylpyrrolidin-2-one
CID 104511575
4-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-3-methylpiperazin-2-one
CID 80613588
[5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
CID 80614764
3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]-4-methyl-1,3-thiazol-2-one
CID 80614789
1-[[5-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-4-tert-butylpyrrolidin-2-one
CID 104512509

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one (CID 104512795) is 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one is CC(C)(C)C1CC(=O)N(Cc2nnc(NN)s2)C1.
What is the InChIKey of 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one?
The InChIKey is OKYXDVUMNSZOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5OS/c1-11(2,3)7-4-9(17)16(5-7)6-8-14-15-10(13-12)18-8/h7H,4-6,12H2,1-3H3,(H,13,15).
What are the key properties of 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one?
4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one has a molecular weight of 269.37 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104512795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).