[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

C11H19N5S — CID 105250055

IUPAC[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1CN2CCN1CC2
InChIInChI=1S/C11H19N5S/c12-14-9(7-11-13-1-6-17-11)10-8-15-2-4-16(10)5-3-15/h1,6,9-10,14H,2-5,7-8,12H2
InChIKeyPBVGBSSCQSOFLL-UHFFFAOYSA-N
MW253.37 g/mol
LogP-0.48
Rot. Bonds4

About [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine

[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (PubChem CID 105250055) has the molecular formula C11H19N5S and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
PubChem CID105250055
Molecular FormulaC11H19N5S
Molecular Weight253.37 g/mol
Exact Mass253.14
IUPAC Name[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
SMILESNNC(Cc1nccs1)C1CN2CCN1CC2
InChIInChI=1S/C11H19N5S/c12-14-9(7-11-13-1-6-17-11)10-8-15-2-4-16(10)5-3-15/h1,6,9-10,14H,2-5,7-8,12H2
InChIKeyPBVGBSSCQSOFLL-UHFFFAOYSA-N
XLogP-0.48
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 5-0.48
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'}

Analyze [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine with MolForge

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Related Compounds

[1-(7-bicyclo[4.1.0]heptanyl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105324654
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-fluorophenyl)ethyl]hydrazine
CID 105249872
[1-cyclooctyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105255195
[1-cycloheptyl-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105232079
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105249842
[1-(4-methylmorpholin-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine
CID 105244511
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105250047
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)hex-5-enylhydrazine
CID 105249868
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)pent-4-ynylhydrazine
CID 105249960
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5,5,5-trifluoropentyl]hydrazine
CID 105249934
[3-methyl-3-pyrrolidin-1-yl-1-(1,3-thiazol-2-yl)pentan-2-yl]hydrazine
CID 105241191
[3-methyl-1-(1,3-thiazol-2-yl)butan-2-yl]hydrazine
CID 105199664

Frequently Asked Questions

What is the IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The IUPAC name of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine (CID 105250055) is [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine.
What is the SMILES notation for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The canonical SMILES for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is NNC(Cc1nccs1)C1CN2CCN1CC2.
What is the InChIKey of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
The InChIKey is PBVGBSSCQSOFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5S/c12-14-9(7-11-13-1-6-17-11)10-8-15-2-4-16(10)5-3-15/h1,6,9-10,14H,2-5,7-8,12H2.
What are the key properties of [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine?
[1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine has a molecular weight of 253.37 g/mol, XLogP of -0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(1,3-thiazol-2-yl)ethyl]hydrazine is sourced from PubChem (CID 105250055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).