5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine

C10H16N4S — CID 82751546

IUPAC5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCC3CCCCC32)n1
InChIInChI=1S/C10H16N4S/c11-9-12-10(15-13-9)14-6-5-7-3-1-2-4-8(7)14/h7-8H,1-6H2,(H2,11,13)
InChIKeyPUMDGRIBDQIDHQ-UHFFFAOYSA-N
MW224.33 g/mol
LogP1.89
Rot. Bonds1

About 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine

5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 82751546) has the molecular formula C10H16N4S and a molecular weight of 224.33 g/mol. Its IUPAC name is 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID82751546
Molecular FormulaC10H16N4S
Molecular Weight224.33 g/mol
Exact Mass224.11
IUPAC Name5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCC3CCCCC32)n1
InChIInChI=1S/C10H16N4S/c11-9-12-10(15-13-9)14-6-5-7-3-1-2-4-8(7)14/h7-8H,1-6H2,(H2,11,13)
InChIKeyPUMDGRIBDQIDHQ-UHFFFAOYSA-N
XLogP1.89
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine (CID 82751546) is 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCC3CCCCC32)n1.
What is the InChIKey of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is PUMDGRIBDQIDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4S/c11-9-12-10(15-13-9)14-6-5-7-3-1-2-4-8(7)14/h7-8H,1-6H2,(H2,11,13).
What are the key properties of 5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine?
5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 224.33 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-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 82751546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).