1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol

C15H28N2OS — CID 105085797

IUPAC1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-5-6-7-8-9-10-11-12(18)13-14(15(2,3)4)16-17-19-13/h12,18H,5-11H2,1-4H3
InChIKeyZLDBYSLNJZXHNX-UHFFFAOYSA-N
MW284.47 g/mol
LogP4.62
Rot. Bonds8

About 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol

1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol (PubChem CID 105085797) has the molecular formula C15H28N2OS and a molecular weight of 284.47 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
PubChem CID105085797
Molecular FormulaC15H28N2OS
Molecular Weight284.47 g/mol
Exact Mass284.19
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
SMILESCCCCCCCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C15H28N2OS/c1-5-6-7-8-9-10-11-12(18)13-14(15(2,3)4)16-17-19-13/h12,18H,5-11H2,1-4H3
InChIKeyZLDBYSLNJZXHNX-UHFFFAOYSA-N
XLogP4.62
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)heptylhydrazine
CID 105294114
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
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)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)nonan-1-one
CID 105087241

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol (CID 105085797) is 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol is CCCCCCCCC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol?
The InChIKey is ZLDBYSLNJZXHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2OS/c1-5-6-7-8-9-10-11-12(18)13-14(15(2,3)4)16-17-19-13/h12,18H,5-11H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol has a molecular weight of 284.47 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol is sourced from PubChem (CID 105085797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).