5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine

C9H16N4S — CID 66280784

IUPAC5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCCCCC2)n1
InChIInChI=1S/C9H16N4S/c10-8-11-9(14-12-8)13-6-4-2-1-3-5-7-13/h1-7H2,(H2,10,12)
InChIKeyXILQKEHCDLBSSW-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.89
Rot. Bonds1

About 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine

5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66280784) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66280784
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCCCCC2)n1
InChIInChI=1S/C9H16N4S/c10-8-11-9(14-12-8)13-6-4-2-1-3-5-7-13/h1-7H2,(H2,10,12)
InChIKeyXILQKEHCDLBSSW-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine (CID 66280784) is 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCCCCCC2)n1.
What is the InChIKey of 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is XILQKEHCDLBSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c10-8-11-9(14-12-8)13-6-4-2-1-3-5-7-13/h1-7H2,(H2,10,12).
What are the key properties of 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine?
5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 212.32 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azocan-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66280784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).