5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine

C11H18N4S — CID 66278797

IUPAC5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C11H18N4S/c12-10-13-11(16-14-10)15-7-3-5-8-4-1-2-6-9(8)15/h8-9H,1-7H2,(H2,12,14)
InChIKeyFLAXIZTXTQRRAH-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.28
Rot. Bonds1

About 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine

5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine (PubChem CID 66278797) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine.

Molecular Properties

Compound Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine
PubChem CID66278797
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC Name5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine
SMILESNc1nsc(N2CCCC3CCCCC32)n1
InChIInChI=1S/C11H18N4S/c12-10-13-11(16-14-10)15-7-3-5-8-4-1-2-6-9(8)15/h8-9H,1-7H2,(H2,12,14)
InChIKeyFLAXIZTXTQRRAH-UHFFFAOYSA-N
XLogP2.28
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine?
The IUPAC name of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine (CID 66278797) is 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine.
What is the SMILES notation for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine?
The canonical SMILES for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine is Nc1nsc(N2CCCC3CCCCC32)n1.
What is the InChIKey of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine?
The InChIKey is FLAXIZTXTQRRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c12-10-13-11(16-14-10)15-7-3-5-8-4-1-2-6-9(8)15/h8-9H,1-7H2,(H2,12,14).
What are the key properties of 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine?
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine has a molecular weight of 238.36 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1,2,4-thiadiazol-3-amine is sourced from PubChem (CID 66278797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).