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

C12H20N2OS — CID 105086438

IUPAC1-(thiadiazol-4-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1csnn1
InChIInChI=1S/C12H20N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10H,2-9H2,1H3
InChIKeyTXWDTFPZNZKVJN-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.86
Rot. Bonds9

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

1-(thiadiazol-4-yl)decan-1-one (PubChem CID 105086438) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 1-(thiadiazol-4-yl)decan-1-one.

Molecular Properties

Compound Name1-(thiadiazol-4-yl)decan-1-one
PubChem CID105086438
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name1-(thiadiazol-4-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1csnn1
InChIInChI=1S/C12H20N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10H,2-9H2,1H3
InChIKeyTXWDTFPZNZKVJN-UHFFFAOYSA-N
XLogP3.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
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-one?
The IUPAC name of 1-(thiadiazol-4-yl)decan-1-one (CID 105086438) is 1-(thiadiazol-4-yl)decan-1-one.
What is the SMILES notation for 1-(thiadiazol-4-yl)decan-1-one?
The canonical SMILES for 1-(thiadiazol-4-yl)decan-1-one is CCCCCCCCCC(=O)c1csnn1.
What is the InChIKey of 1-(thiadiazol-4-yl)decan-1-one?
The InChIKey is TXWDTFPZNZKVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-2-3-4-5-6-7-8-9-12(15)11-10-16-14-13-11/h10H,2-9H2,1H3.
What are the key properties of 1-(thiadiazol-4-yl)decan-1-one?
1-(thiadiazol-4-yl)decan-1-one has a molecular weight of 240.37 g/mol, XLogP of 3.86, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiadiazol-4-yl)decan-1-one is sourced from PubChem (CID 105086438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).