1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine

C13H26N4S — CID 105294114

IUPAC1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1snnc1C(C)(C)C
InChIInChI=1S/C13H26N4S/c1-5-6-7-8-9-10(15-14)11-12(13(2,3)4)16-17-18-11/h10,15H,5-9,14H2,1-4H3
InChIKeyZKTCQYHBQGEPBE-UHFFFAOYSA-N
MW270.45 g/mol
LogP3.31
Rot. Bonds7

About 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine

1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine (PubChem CID 105294114) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
PubChem CID105294114
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
SMILESCCCCCCC(NN)c1snnc1C(C)(C)C
InChIInChI=1S/C13H26N4S/c1-5-6-7-8-9-10(15-14)11-12(13(2,3)4)16-17-18-11/h10,15H,5-9,14H2,1-4H3
InChIKeyZKTCQYHBQGEPBE-UHFFFAOYSA-N
XLogP3.31
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-N-propylhexan-1-amine
CID 105129802
1-(4-tert-butylthiadiazol-5-yl)-N-methylpentan-1-amine
CID 105125643
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
1-(4-ethylthiadiazol-5-yl)octylhydrazine
CID 105293632
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
1-(4-tert-butylthiadiazol-5-yl)but-3-enylhydrazine
CID 105289711
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(4-tert-butylthiadiazol-5-yl)-N-propylhex-5-en-1-amine
CID 105153160
[1-(4-tert-butylthiadiazol-5-yl)-2-(3,5-dimethylphenyl)ethyl]hydrazine
CID 105287290

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine (CID 105294114) is 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine is CCCCCCC(NN)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine?
The InChIKey is ZKTCQYHBQGEPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-5-6-7-8-9-10(15-14)11-12(13(2,3)4)16-17-18-11/h10,15H,5-9,14H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine?
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine has a molecular weight of 270.45 g/mol, XLogP of 3.31, 7 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)heptylhydrazine is sourced from PubChem (CID 105294114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).