1-(thiadiazol-5-yl)hexan-1-ol

C8H14N2OS — CID 105086141

IUPAC1-(thiadiazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1cnns1
InChIInChI=1S/C8H14N2OS/c1-2-3-4-5-7(11)8-6-9-10-12-8/h6-7,11H,2-5H2,1H3
InChIKeyXCDYSTJAGOSTHG-UHFFFAOYSA-N
MW186.28 g/mol
LogP2.15
Rot. Bonds5

About 1-(thiadiazol-5-yl)hexan-1-ol

1-(thiadiazol-5-yl)hexan-1-ol (PubChem CID 105086141) has the molecular formula C8H14N2OS and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-(thiadiazol-5-yl)hexan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-5-yl)hexan-1-ol
PubChem CID105086141
Molecular FormulaC8H14N2OS
Molecular Weight186.28 g/mol
Exact Mass186.08
IUPAC Name1-(thiadiazol-5-yl)hexan-1-ol
SMILESCCCCCC(O)c1cnns1
InChIInChI=1S/C8H14N2OS/c1-2-3-4-5-7(11)8-6-9-10-12-8/h6-7,11H,2-5H2,1H3
InChIKeyXCDYSTJAGOSTHG-UHFFFAOYSA-N
XLogP2.15
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 52.15
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

N-methyl-1-(thiadiazol-5-yl)decan-1-amine
CID 105124492
N-ethyl-1-(thiadiazol-5-yl)hexan-1-amine
CID 105129677
N-propyl-1-(thiadiazol-5-yl)undecan-1-amine
CID 105138198
2-(4-methyl-1,3-thiazol-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105117676
1-pyrimidin-5-ylhexan-1-ol
CID 15889672
1-pyridazin-4-ylnonan-1-ol
CID 105085715
1-(4-propan-2-ylthiadiazol-5-yl)hexan-1-ol
CID 105086118
1-(5-ethylthiophen-2-yl)dodecan-1-ol
CID 65426188
1-pyrimidin-5-yltridecan-1-ol
CID 102924013
1-pyrimidin-5-ylheptan-1-ol
CID 63901616
2-(4-bromothiophen-2-yl)-1-(thiadiazol-5-yl)ethanol
CID 105090603
2-(2-propan-2-yl-1,2,4-triazol-3-yl)-1-(thiadiazol-5-yl)ethanol
CID 105107892

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-5-yl)hexan-1-ol?
The IUPAC name of 1-(thiadiazol-5-yl)hexan-1-ol (CID 105086141) is 1-(thiadiazol-5-yl)hexan-1-ol.
What is the SMILES notation for 1-(thiadiazol-5-yl)hexan-1-ol?
The canonical SMILES for 1-(thiadiazol-5-yl)hexan-1-ol is CCCCCC(O)c1cnns1.
What is the InChIKey of 1-(thiadiazol-5-yl)hexan-1-ol?
The InChIKey is XCDYSTJAGOSTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2OS/c1-2-3-4-5-7(11)8-6-9-10-12-8/h6-7,11H,2-5H2,1H3.
What are the key properties of 1-(thiadiazol-5-yl)hexan-1-ol?
1-(thiadiazol-5-yl)hexan-1-ol has a molecular weight of 186.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-5-yl)hexan-1-ol is sourced from PubChem (CID 105086141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).