1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol

C11H16N2OS — CID 105098628

IUPAC1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-5-6-7-8(14)9-10(11(2,3)4)12-13-15-9/h1,8,14H,6-7H2,2-4H3
InChIKeyYAGUTFZGMUNBNA-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.28
Rot. Bonds3

About 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol

1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol (PubChem CID 105098628) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
PubChem CID105098628
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1snnc1C(C)(C)C
InChIInChI=1S/C11H16N2OS/c1-5-6-7-8(14)9-10(11(2,3)4)12-13-15-9/h1,8,14H,6-7H2,2-4H3
InChIKeyYAGUTFZGMUNBNA-UHFFFAOYSA-N
XLogP2.28
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-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)heptan-1-ol
CID 105085352
1-(4-tert-butylthiadiazol-5-yl)nonan-1-ol
CID 105085797
1-(4-tert-butylthiadiazol-5-yl)-2-methoxyethanol
CID 105112166
1-(4-tert-butylthiadiazol-5-yl)-3-ethylpentan-1-ol
CID 105122577
1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
CID 105124752
1-(4-tert-butylthiadiazol-5-yl)-2-methylpentan-1-ol
CID 107894724
1-(4-tert-butylthiadiazol-5-yl)-4-(oxolan-2-yl)butan-1-ol
CID 105104849
1-(4-tert-butylthiadiazol-5-yl)hex-4-yn-1-amine
CID 105181379
1-(4-tert-butylthiadiazol-5-yl)-2-(2-methylphenyl)ethanol
CID 105078113
1-(4-tert-butylthiadiazol-5-yl)-2-(3-methoxyphenyl)ethanol
CID 105087087
[1-(4-tert-butylthiadiazol-5-yl)-4-methylpentyl]hydrazine
CID 105294316
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)pent-4-yn-1-ol?
The IUPAC name of 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol (CID 105098628) is 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol is C#CCCC(O)c1snnc1C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol?
The InChIKey is YAGUTFZGMUNBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-5-6-7-8(14)9-10(11(2,3)4)12-13-15-9/h1,8,14H,6-7H2,2-4H3.
What are the key properties of 1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol?
1-(4-tert-butylthiadiazol-5-yl)pent-4-yn-1-ol has a molecular weight of 224.33 g/mol, XLogP of 2.28, 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)pent-4-yn-1-ol is sourced from PubChem (CID 105098628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).