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

C13H21N3S — CID 64993624

IUPACN-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1nccs1
InChIInChI=1S/C13H21N3S/c1-10(13-14-6-9-17-13)15-11-5-8-16-7-3-2-4-12(11)16/h6,9-12,15H,2-5,7-8H2,1H3
InChIKeyVWOFDDANSZZZIY-UHFFFAOYSA-N
MW251.40 g/mol
LogP2.42
Rot. Bonds3

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

N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (PubChem CID 64993624) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.

Molecular Properties

Compound NameN-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
PubChem CID64993624
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC NameN-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
SMILESCC(NC1CCN2CCCCC12)c1nccs1
InChIInChI=1S/C13H21N3S/c1-10(13-14-6-9-17-13)15-11-5-8-16-7-3-2-4-12(11)16/h6,9-12,15H,2-5,7-8H2,1H3
InChIKeyVWOFDDANSZZZIY-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-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The IUPAC name of N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine (CID 64993624) is N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine.
What is the SMILES notation for N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The canonical SMILES for N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is CC(NC1CCN2CCCCC12)c1nccs1.
What is the InChIKey of N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
The InChIKey is VWOFDDANSZZZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(13-14-6-9-17-13)15-11-5-8-16-7-3-2-4-12(11)16/h6,9-12,15H,2-5,7-8H2,1H3.
What are the key properties of N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine?
N-[1-(1,3-thiazol-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-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-2-yl)ethyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine is sourced from PubChem (CID 64993624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).