N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

C12H20N4S — CID 75356316

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C12H20N4S/c1-2-11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(16)8-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUUZUHYXUUITTSN-UHFFFAOYSA-N
MW252.39 g/mol
LogP2.14
Rot. Bonds3

About N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (PubChem CID 75356316) has the molecular formula C12H20N4S and a molecular weight of 252.39 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
PubChem CID75356316
Molecular FormulaC12H20N4S
Molecular Weight252.39 g/mol
Exact Mass252.14
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(NC2CCN3CCCC3C2)n1
InChIInChI=1S/C12H20N4S/c1-2-11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(16)8-9/h9-10H,2-8H2,1H3,(H,13,14,15)
InChIKeyUUZUHYXUUITTSN-UHFFFAOYSA-N
XLogP2.14
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

3-methyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65267689
3-ethyl-N-(1-propylpiperidin-4-yl)-1,2,4-thiadiazol-5-amine
CID 65276447
N-[[(2R)-1-ethylpiperidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 97594400
N-[[(2S,5S)-1,5-dimethylpyrrolidin-2-yl]methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 122149506
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107304858
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305067
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-ethyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305306
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-3-(trifluoromethyl)-1,2,4-thiadiazol-5-amine
CID 107305307
Ethane;1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-amine
CID 123668036
N-(1-ethylpiperidin-4-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267513
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
CID 65267751
N'-cyclohexyl-N'-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65267919

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine (CID 75356316) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is CCc1nsc(NC2CCN3CCCC3C2)n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
The InChIKey is UUZUHYXUUITTSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4S/c1-2-11-14-12(17-15-11)13-9-5-7-16-6-3-4-10(16)8-9/h9-10H,2-8H2,1H3,(H,13,14,15).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine has a molecular weight of 252.39 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-3-ethyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 75356316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).