1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol

C11H16N2OS — CID 105124752

IUPAC1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1snnc1CCC
InChIInChI=1S/C11H16N2OS/c1-3-5-6-8-10(14)11-9(7-4-2)12-13-15-11/h1,10,14H,4-8H2,2H3
InChIKeyWPHVOHMNALDSLF-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.33
Rot. Bonds6

About 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol

1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol (PubChem CID 105124752) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol.

Molecular Properties

Compound Name1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
PubChem CID105124752
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC Name1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol
SMILESC#CCCCC(O)c1snnc1CCC
InChIInChI=1S/C11H16N2OS/c1-3-5-6-8-10(14)11-9(7-4-2)12-13-15-11/h1,10,14H,4-8H2,2H3
InChIKeyWPHVOHMNALDSLF-UHFFFAOYSA-N
XLogP2.33
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol?
The IUPAC name of 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol (CID 105124752) is 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol.
What is the SMILES notation for 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol?
The canonical SMILES for 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol is C#CCCCC(O)c1snnc1CCC.
What is the InChIKey of 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol?
The InChIKey is WPHVOHMNALDSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-3-5-6-8-10(14)11-9(7-4-2)12-13-15-11/h1,10,14H,4-8H2,2H3.
What are the key properties of 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol?
1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol has a molecular weight of 224.33 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylthiadiazol-5-yl)hex-5-yn-1-ol is sourced from PubChem (CID 105124752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).