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

C11H18N4S — CID 65267751

IUPACN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C11H18N4S/c1-8-12-11(16-14-8)13-9-5-7-15-6-3-2-4-10(9)15/h9-10H,2-7H2,1H3,(H,12,13,14)
InChIKeyVETKIMBQOXEOKC-UHFFFAOYSA-N
MW238.36 g/mol
LogP1.89
Rot. Bonds2

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

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65267751) has the molecular formula C11H18N4S and a molecular weight of 238.36 g/mol. Its IUPAC name is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65267751
Molecular FormulaC11H18N4S
Molecular Weight238.36 g/mol
Exact Mass238.13
IUPAC NameN-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine
SMILESCc1nsc(NC2CCN3CCCCC23)n1
InChIInChI=1S/C11H18N4S/c1-8-12-11(16-14-8)13-9-5-7-15-6-3-2-4-10(9)15/h9-10H,2-7H2,1H3,(H,12,13,14)
InChIKeyVETKIMBQOXEOKC-UHFFFAOYSA-N
XLogP1.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine (CID 65267751) is N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine is Cc1nsc(NC2CCN3CCCCC23)n1.
What is the InChIKey of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is VETKIMBQOXEOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4S/c1-8-12-11(16-14-8)13-9-5-7-15-6-3-2-4-10(9)15/h9-10H,2-7H2,1H3,(H,12,13,14).
What are the key properties of N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine?
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 238.36 g/mol, XLogP of 1.89, 2 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-1-yl)-3-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65267751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).