1-(thiadiazol-4-yl)hex-5-en-1-ol

C8H12N2OS — CID 105102054

IUPAC1-(thiadiazol-4-yl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1csnn1
InChIInChI=1S/C8H12N2OS/c1-2-3-4-5-8(11)7-6-12-10-9-7/h2,6,8,11H,1,3-5H2
InChIKeyXFGGDGTVIHMZMM-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.93
Rot. Bonds5

About 1-(thiadiazol-4-yl)hex-5-en-1-ol

1-(thiadiazol-4-yl)hex-5-en-1-ol (PubChem CID 105102054) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)hex-5-en-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)hex-5-en-1-ol
PubChem CID105102054
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC Name1-(thiadiazol-4-yl)hex-5-en-1-ol
SMILESC=CCCCC(O)c1csnn1
InChIInChI=1S/C8H12N2OS/c1-2-3-4-5-8(11)7-6-12-10-9-7/h2,6,8,11H,1,3-5H2
InChIKeyXFGGDGTVIHMZMM-UHFFFAOYSA-N
XLogP1.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(thiadiazol-4-yl)pent-4-enylhydrazine
CID 105311505
1-(2-methyl-1,3-thiazol-4-yl)hex-5-en-1-ol
CID 105102094
1-(1,3-thiazol-4-yl)oct-7-en-1-ol
CID 107008661
N-ethyl-1-(thiadiazol-4-yl)but-3-en-1-amine
CID 105108314
2-hex-5-enyloct-7-enoic acid;2-pent-4-enylhept-6-enoic acid
CID 87921197
1-(3,5-dimethylphenyl)hex-5-en-1-ol
CID 115804298
1-(4-iodophenyl)hex-5-en-1-ol
CID 115804427
1-(1-benzothiophen-3-yl)hex-5-en-1-ol
CID 115804490
1-(4-methoxythiophen-2-yl)hex-5-en-1-ol
CID 115804240
1-(1-methylimidazol-4-yl)oct-7-en-1-ol
CID 107978815
(6R,8R)-trideca-1,12-diene-6,8-diol
CID 10584668
1-fluorohex-5-en-1-ol
CID 165382533

Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)hex-5-en-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)hex-5-en-1-ol (CID 105102054) is 1-(thiadiazol-4-yl)hex-5-en-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)hex-5-en-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)hex-5-en-1-ol is C=CCCCC(O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)hex-5-en-1-ol?
The InChIKey is XFGGDGTVIHMZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-2-3-4-5-8(11)7-6-12-10-9-7/h2,6,8,11H,1,3-5H2.
What are the key properties of 1-(thiadiazol-4-yl)hex-5-en-1-ol?
1-(thiadiazol-4-yl)hex-5-en-1-ol has a molecular weight of 184.26 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)hex-5-en-1-ol is sourced from PubChem (CID 105102054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).