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

C12H22N2OS — CID 105084913

IUPAC1-(thiadiazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1csnn1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10,12,15H,2-9H2,1H3
InChIKeyAKTDEIDPVJVZNT-UHFFFAOYSA-N
MW242.39 g/mol
LogP3.71
Rot. Bonds9

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

1-(thiadiazol-4-yl)decan-1-ol (PubChem CID 105084913) has the molecular formula C12H22N2OS and a molecular weight of 242.39 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)decan-1-ol.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)decan-1-ol
PubChem CID105084913
Molecular FormulaC12H22N2OS
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC Name1-(thiadiazol-4-yl)decan-1-ol
SMILESCCCCCCCCCC(O)c1csnn1
InChIInChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10,12,15H,2-9H2,1H3
InChIKeyAKTDEIDPVJVZNT-UHFFFAOYSA-N
XLogP3.71
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 53.71
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)decan-1-ol?
The IUPAC name of 1-(thiadiazol-4-yl)decan-1-ol (CID 105084913) is 1-(thiadiazol-4-yl)decan-1-ol.
What is the SMILES notation for 1-(thiadiazol-4-yl)decan-1-ol?
The canonical SMILES for 1-(thiadiazol-4-yl)decan-1-ol is CCCCCCCCCC(O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)decan-1-ol?
The InChIKey is AKTDEIDPVJVZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10,12,15H,2-9H2,1H3.
What are the key properties of 1-(thiadiazol-4-yl)decan-1-ol?
1-(thiadiazol-4-yl)decan-1-ol has a molecular weight of 242.39 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)decan-1-ol is sourced from PubChem (CID 105084913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).