2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole

C13H21N3S — CID 79930238

IUPAC2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
SMILESc1csc(CCN2CCN3CCCCC3C2)n1
InChIInChI=1S/C13H21N3S/c1-2-6-16-9-8-15(11-12(16)3-1)7-4-13-14-5-10-17-13/h5,10,12H,1-4,6-9,11H2
InChIKeyLWQLYXGLHDSIIF-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.86
Rot. Bonds3

About 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole

2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole (PubChem CID 79930238) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
PubChem CID79930238
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
SMILESc1csc(CCN2CCN3CCCCC3C2)n1
InChIInChI=1S/C13H21N3S/c1-2-6-16-9-8-15(11-12(16)3-1)7-4-13-14-5-10-17-13/h5,10,12H,1-4,6-9,11H2
InChIKeyLWQLYXGLHDSIIF-UHFFFAOYSA-N
XLogP1.86
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole
CID 79939636
2-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]-1,3-thiazole
CID 79926250
2-(2-pyridin-4-ylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162078
4-[1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]morpholine
CID 45236744
N-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidin-3-amine
CID 63242038
2-(2-phenylethyl)-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 13162074
2-[2-(3-cyclohexylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64953406
5-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethyl]-1,2,4-oxadiazole
CID 106408828
3-[2-(3,4,5,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a][1,4]diazepin-2-yl)ethyl]-1,2,4-oxadiazole
CID 106408893
2-propyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine;yttrium(3+)
CID 23593660
2-(2-piperidin-1-ylethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 127337010
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-N-(thiophen-2-ylmethyl)ethanamine
CID 79924900

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole (CID 79930238) is 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole is c1csc(CCN2CCN3CCCCC3C2)n1.
What is the InChIKey of 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
The InChIKey is LWQLYXGLHDSIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-2-6-16-9-8-15(11-12(16)3-1)7-4-13-14-5-10-17-13/h5,10,12H,1-4,6-9,11H2.
What are the key properties of 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole?
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole has a molecular weight of 251.40 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 79930238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).