N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

C13H21N3S — CID 113260246

IUPACN-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1cncs1
InChIInChI=1S/C13H21N3S/c1-10(13-8-14-9-17-13)15-11-4-6-16-5-2-3-12(16)7-11/h8-12,15H,2-7H2,1H3
InChIKeyVVCTUZHJVVGTKW-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.42
Rot. Bonds3

About N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine

N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (PubChem CID 113260246) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
PubChem CID113260246
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
SMILESCC(NC1CCN2CCCC2C1)c1cncs1
InChIInChI=1S/C13H21N3S/c1-10(13-8-14-9-17-13)15-11-4-6-16-5-2-3-12(16)7-11/h8-12,15H,2-7H2,1H3
InChIKeyVVCTUZHJVVGTKW-UHFFFAOYSA-N
XLogP2.42
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The IUPAC name of N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine (CID 113260246) is N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The canonical SMILES for N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is CC(NC1CCN2CCCC2C1)c1cncs1.
What is the InChIKey of N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
The InChIKey is VVCTUZHJVVGTKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(13-8-14-9-17-13)15-11-4-6-16-5-2-3-12(16)7-11/h8-12,15H,2-7H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine?
N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine has a molecular weight of 251.40 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-thiazol-5-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine is sourced from PubChem (CID 113260246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).