1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine

C14H24N4S — CID 79934712

IUPAC1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCN3CCCCC3C2)cs1
InChIInChI=1S/C14H24N4S/c1-11(15)14-16-12(10-19-14)8-17-6-7-18-5-3-2-4-13(18)9-17/h10-11,13H,2-9,15H2,1H3
InChIKeyNHVIEBSKVMNKJC-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.83
Rot. Bonds3

About 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine

1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine (PubChem CID 79934712) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine
PubChem CID79934712
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine
SMILESCC(N)c1nc(CN2CCN3CCCCC3C2)cs1
InChIInChI=1S/C14H24N4S/c1-11(15)14-16-12(10-19-14)8-17-6-7-18-5-3-2-4-13(18)9-17/h10-11,13H,2-9,15H2,1H3
InChIKeyNHVIEBSKVMNKJC-UHFFFAOYSA-N
XLogP1.83
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine with MolForge

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Related Compounds

1-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66389792
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-(chloromethyl)-1,3-thiazole
CID 79943426
1-[4-[(4-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66388837
1-[4-[(2-propylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 83055721
1-[4-[(4-tert-butylazepan-1-yl)methyl]-1,3-thiazol-2-yl]ethanamine
CID 66384874
4-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazole-2-carboxylic acid
CID 63170613
1-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)phenyl]ethanamine
CID 123984237
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-methylpentan-2-amine
CID 79935985
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
2-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]-4-(chloromethyl)-1,3-thiazole
CID 79943191
1-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]propan-2-amine
CID 82044404

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine?
The IUPAC name of 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine (CID 79934712) is 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine?
The canonical SMILES for 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine is CC(N)c1nc(CN2CCN3CCCCC3C2)cs1.
What is the InChIKey of 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine?
The InChIKey is NHVIEBSKVMNKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-11(15)14-16-12(10-19-14)8-17-6-7-18-5-3-2-4-13(18)9-17/h10-11,13H,2-9,15H2,1H3.
What are the key properties of 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine?
1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine has a molecular weight of 280.44 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-1,3-thiazol-2-yl]ethanamine is sourced from PubChem (CID 79934712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).