1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine

C10H18N4S — CID 105289711

IUPAC1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1snnc1C(C)(C)C
InChIInChI=1S/C10H18N4S/c1-5-6-7(12-11)8-9(10(2,3)4)13-14-15-8/h5,7,12H,1,6,11H2,2-4H3
InChIKeyNSJMXTBIIYGALG-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.92
Rot. Bonds4

About 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine

1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine (PubChem CID 105289711) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
PubChem CID105289711
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
SMILESC=CCC(NN)c1snnc1C(C)(C)C
InChIInChI=1S/C10H18N4S/c1-5-6-7(12-11)8-9(10(2,3)4)13-14-15-8/h5,7,12H,1,6,11H2,2-4H3
InChIKeyNSJMXTBIIYGALG-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
[1-(4-tert-butylthiadiazol-5-yl)-4-methylsulfonylbutyl]hydrazine
CID 105291025
1-(4-tert-butylthiadiazol-5-yl)pent-4-en-1-amine
CID 105153331
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
[1-(4-tert-butylthiadiazol-5-yl)-2-(4-ethylphenyl)ethyl]hydrazine
CID 105287990
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290
[1-(4-tert-butylthiadiazol-5-yl)-2-thiophen-2-ylethyl]hydrazine
CID 105295607
[1-(4-tert-butylthiadiazol-5-yl)-2-(2,6-difluorophenyl)ethyl]hydrazine
CID 105342938
[1-(4-tert-butylthiadiazol-5-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105333802
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,4-dichlorophenyl)ethyl]hydrazine
CID 105296898

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine (CID 105289711) is 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine is C=CCC(NN)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine?
The InChIKey is NSJMXTBIIYGALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-5-6-7(12-11)8-9(10(2,3)4)13-14-15-8/h5,7,12H,1,6,11H2,2-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine?
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine has a molecular weight of 226.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine is sourced from PubChem (CID 105289711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).