5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine

C10H17N5S — CID 66279217

IUPAC5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C10H17N5S/c11-9-13-10(16-14-9)12-7-4-6-15-5-2-1-3-8(7)15/h7-8H,1-6H2,(H3,11,12,13,14)
InChIKeyUCRWVXQIZFZOAJ-UHFFFAOYSA-N
MW239.35 g/mol
LogP1.16
Rot. Bonds2

About 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine

5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279217) has the molecular formula C10H17N5S and a molecular weight of 239.35 g/mol. Its IUPAC name is 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279217
Molecular FormulaC10H17N5S
Molecular Weight239.35 g/mol
Exact Mass239.12
IUPAC Name5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine
SMILESNc1nsc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C10H17N5S/c11-9-13-10(16-14-9)12-7-4-6-15-5-2-1-3-8(7)15/h7-8H,1-6H2,(H3,11,12,13,14)
InChIKeyUCRWVXQIZFZOAJ-UHFFFAOYSA-N
XLogP1.16
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.35
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine with MolForge

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-chloro-1,3-thiazol-2-amine
CID 83152062
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)quinazoline-2,4-diamine
CID 80784788
2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569926
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrimidine-2,4-diamine
CID 116795790
N-(5-fluoro-2-hydrazinylpyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 80904257
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-5-methylpyrimidine-4,6-diamine
CID 80807917
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyrazine-2,5-diamine
CID 80653240
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
2-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)pyridine-2,5-diamine
CID 54968403
N-(3,6-dimethylpyrazin-2-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 65418838
methyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 80569907
4-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80784794

Frequently Asked Questions

What is the IUPAC name of 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine (CID 66279217) is 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine is Nc1nsc(NC2CCN3CCCCC23)n1.
What is the InChIKey of 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is UCRWVXQIZFZOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5S/c11-9-13-10(16-14-9)12-7-4-6-15-5-2-1-3-8(7)15/h7-8H,1-6H2,(H3,11,12,13,14).
What are the key properties of 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine?
5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 239.35 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).