N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C13H22N4S — CID 97161059

IUPACN-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@@H]2CCN3CCC[C@@H]3C2)n1
InChIInChI=1S/C13H22N4S/c1-9(2)12-15-13(18-16-12)14-10-5-7-17-6-3-4-11(17)8-10/h9-11H,3-8H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1
InChIKeyZNHSISAHWMEXAN-GHMZBOCLSA-N
MW266.41 g/mol
LogP2.70
Rot. Bonds3

About N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 97161059) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID97161059
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC NameN-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC(C)c1nsc(N[C@@H]2CCN3CCC[C@@H]3C2)n1
InChIInChI=1S/C13H22N4S/c1-9(2)12-15-13(18-16-12)14-10-5-7-17-6-3-4-11(17)8-10/h9-11H,3-8H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1
InChIKeyZNHSISAHWMEXAN-GHMZBOCLSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 97161059) is N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC(C)c1nsc(N[C@@H]2CCN3CCC[C@@H]3C2)n1.
What is the InChIKey of N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZNHSISAHWMEXAN-GHMZBOCLSA-N. The full InChI is InChI=1S/C13H22N4S/c1-9(2)12-15-13(18-16-12)14-10-5-7-17-6-3-4-11(17)8-10/h9-11H,3-8H2,1-2H3,(H,14,15,16)/t10-,11-/m1/s1.
What are the key properties of N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 266.41 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 97161059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).