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

C13H24N2OS — CID 105085352

IUPAC1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-9-10(16)11-12(13(2,3)4)14-15-17-11/h10,16H,5-9H2,1-4H3
InChIKeyULYOPIYCRHGESH-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.84
Rot. Bonds6

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

1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol (PubChem CID 105085352) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
PubChem CID105085352
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
SMILESCCCCCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-5-6-7-8-9-10(16)11-12(13(2,3)4)14-15-17-11/h10,16H,5-9H2,1-4H3
InChIKeyULYOPIYCRHGESH-UHFFFAOYSA-N
XLogP3.84
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.84
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)nonan-1-ol
CID 105085797
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)heptan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol (CID 105085352) is 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol is CCCCCCC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol?
The InChIKey is ULYOPIYCRHGESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-5-6-7-8-9-10(16)11-12(13(2,3)4)14-15-17-11/h10,16H,5-9H2,1-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 3.84, 6 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)heptan-1-ol is sourced from PubChem (CID 105085352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).