1-(thiadiazol-4-yl)octan-1-ol

C10H18N2OS — CID 105085055

IUPAC1-(thiadiazol-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1csnn1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-10(13)9-8-14-12-11-9/h8,10,13H,2-7H2,1H3
InChIKeyFNVKJQQENBDPCT-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.93
Rot. Bonds7

About 1-(thiadiazol-4-yl)octan-1-ol

1-(thiadiazol-4-yl)octan-1-ol (PubChem CID 105085055) has the molecular formula C10H18N2OS and a molecular weight of 214.33 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)octan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)octan-1-ol
PubChem CID105085055
Molecular FormulaC10H18N2OS
Molecular Weight214.33 g/mol
Exact Mass214.11
IUPAC Name1-(thiadiazol-4-yl)octan-1-ol
SMILESCCCCCCCC(O)c1csnn1
InChIInChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-10(13)9-8-14-12-11-9/h8,10,13H,2-7H2,1H3
InChIKeyFNVKJQQENBDPCT-UHFFFAOYSA-N
XLogP2.93
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.93
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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Frequently Asked Questions

What is the IUPAC name of 1-(thiadiazol-4-yl)octan-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)octan-1-ol (CID 105085055) is 1-(thiadiazol-4-yl)octan-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)octan-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)octan-1-ol is CCCCCCCC(O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)octan-1-ol?
The InChIKey is FNVKJQQENBDPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2OS/c1-2-3-4-5-6-7-10(13)9-8-14-12-11-9/h8,10,13H,2-7H2,1H3.
What are the key properties of 1-(thiadiazol-4-yl)octan-1-ol?
1-(thiadiazol-4-yl)octan-1-ol has a molecular weight of 214.33 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)octan-1-ol is sourced from PubChem (CID 105085055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).