1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol

C11H20N2OS — CID 105116559

IUPAC1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-6-7(2)8(14)9-10(11(3,4)5)12-13-15-9/h7-8,14H,6H2,1-5H3
InChIKeyZGVGCLWNWZOIHQ-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.92
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol

1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol (PubChem CID 105116559) has the molecular formula C11H20N2OS and a molecular weight of 228.36 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
PubChem CID105116559
Molecular FormulaC11H20N2OS
Molecular Weight228.36 g/mol
Exact Mass228.13
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol
SMILESCCC(C)C(O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H20N2OS/c1-6-7(2)8(14)9-10(11(3,4)5)12-13-15-9/h7-8,14H,6H2,1-5H3
InChIKeyZGVGCLWNWZOIHQ-UHFFFAOYSA-N
XLogP2.92
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
1-(4-tert-butylthiadiazol-5-yl)-2-methyl-N-propylbutan-1-amine
CID 105170540
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)heptan-1-ol
CID 105085352
[1-(4-tert-butylthiadiazol-5-yl)-3-methylpentyl]hydrazine
CID 105298670
1-(4-tert-butylthiadiazol-5-yl)-N-ethyl-2-propan-2-yloxyethanamine
CID 105168099
2-(1-butan-2-ylpyrazol-3-yl)-1-(4-tert-butylthiadiazol-5-yl)ethanol
CID 105103273
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
CID 105098628
1-(4-tert-butylthiadiazol-5-yl)ethylhydrazine
CID 105282656
1-(4-tert-butylthiadiazol-5-yl)pentan-1-amine
CID 105125244

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol (CID 105116559) is 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol is CCC(C)C(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol?
The InChIKey is ZGVGCLWNWZOIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2OS/c1-6-7(2)8(14)9-10(11(3,4)5)12-13-15-9/h7-8,14H,6H2,1-5H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol?
1-(4-tert-butylthiadiazol-5-yl)-2-methylbutan-1-ol has a molecular weight of 228.36 g/mol, XLogP of 2.92, 3 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)-2-methylbutan-1-ol is sourced from PubChem (CID 105116559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).