[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

C13H25N5S — CID 80613685

IUPAC[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(C)(C)C1CCCN(Cc2nnc(NN)s2)CC1
InChIInChI=1S/C13H25N5S/c1-13(2,3)10-5-4-7-18(8-6-10)9-11-16-17-12(15-14)19-11/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyOEDSNVKJZUFVNA-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.47
Rot. Bonds3

About [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine

[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (PubChem CID 80613685) has the molecular formula C13H25N5S and a molecular weight of 283.44 g/mol. Its IUPAC name is [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.

Molecular Properties

Compound Name[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
PubChem CID80613685
Molecular FormulaC13H25N5S
Molecular Weight283.44 g/mol
Exact Mass283.18
IUPAC Name[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine
SMILESCC(C)(C)C1CCCN(Cc2nnc(NN)s2)CC1
InChIInChI=1S/C13H25N5S/c1-13(2,3)10-5-4-7-18(8-6-10)9-11-16-17-12(15-14)19-11/h10H,4-9,14H2,1-3H3,(H,15,17)
InChIKeyOEDSNVKJZUFVNA-UHFFFAOYSA-N
XLogP2.47
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.47
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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Frequently Asked Questions

What is the IUPAC name of [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The IUPAC name of [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine (CID 80613685) is [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine.
What is the SMILES notation for [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The canonical SMILES for [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is CC(C)(C)C1CCCN(Cc2nnc(NN)s2)CC1.
What is the InChIKey of [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
The InChIKey is OEDSNVKJZUFVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5S/c1-13(2,3)10-5-4-7-18(8-6-10)9-11-16-17-12(15-14)19-11/h10H,4-9,14H2,1-3H3,(H,15,17).
What are the key properties of [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine?
[5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine has a molecular weight of 283.44 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-tert-butylazepan-1-yl)methyl]-1,3,4-thiadiazol-2-yl]hydrazine is sourced from PubChem (CID 80613685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).