1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol

C13H24N2OS — CID 105122577

IUPAC1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-9(7-2)8-10(16)11-12(13(3,4)5)14-15-17-11/h9-10,16H,6-8H2,1-5H3
InChIKeyCFHJDJDSVHFHLW-UHFFFAOYSA-N
MW256.41 g/mol
LogP3.70
Rot. Bonds5

About 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol

1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol (PubChem CID 105122577) has the molecular formula C13H24N2OS and a molecular weight of 256.41 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
PubChem CID105122577
Molecular FormulaC13H24N2OS
Molecular Weight256.41 g/mol
Exact Mass256.16
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
SMILESCCC(CC)CC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C13H24N2OS/c1-6-9(7-2)8-10(16)11-12(13(3,4)5)14-15-17-11/h9-10,16H,6-8H2,1-5H3
InChIKeyCFHJDJDSVHFHLW-UHFFFAOYSA-N
XLogP3.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.41
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-2-methylbutan-1-ol
CID 105116559
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
2-(3-bromo-2,6-difluorophenyl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 106274403
1-(4-tert-butylthiadiazol-5-yl)-3-(4-methoxyphenyl)propan-1-ol
CID 105101479
3-ethyl-1-(4-propan-2-ylthiadiazol-5-yl)heptan-1-ol
CID 105080603

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol (CID 105122577) is 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol is CCC(CC)CC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol?
The InChIKey is CFHJDJDSVHFHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2OS/c1-6-9(7-2)8-10(16)11-12(13(3,4)5)14-15-17-11/h9-10,16H,6-8H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol has a molecular weight of 256.41 g/mol, XLogP of 3.70, 5 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)-3-ethylpentan-1-ol is sourced from PubChem (CID 105122577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).