2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

C14H19N3O2S — CID 79929583

IUPAC2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1csc(C(C)N2CC(=O)N3CCCCC3C2=O)n1
InChIInChI=1S/C14H19N3O2S/c1-9-8-20-13(15-9)10(2)17-7-12(18)16-6-4-3-5-11(16)14(17)19/h8,10-11H,3-7H2,1-2H3
InChIKeyFEZFGPSTOKPMCN-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.74
Rot. Bonds2

About 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione

2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (PubChem CID 79929583) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.

Molecular Properties

Compound Name2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
PubChem CID79929583
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione
SMILESCc1csc(C(C)N2CC(=O)N3CCCCC3C2=O)n1
InChIInChI=1S/C14H19N3O2S/c1-9-8-20-13(15-9)10(2)17-7-12(18)16-6-4-3-5-11(16)14(17)19/h8,10-11H,3-7H2,1-2H3
InChIKeyFEZFGPSTOKPMCN-UHFFFAOYSA-N
XLogP1.74
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The IUPAC name of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione (CID 79929583) is 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione.
What is the SMILES notation for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The canonical SMILES for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is Cc1csc(C(C)N2CC(=O)N3CCCCC3C2=O)n1.
What is the InChIKey of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
The InChIKey is FEZFGPSTOKPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-9-8-20-13(15-9)10(2)17-7-12(18)16-6-4-3-5-11(16)14(17)19/h8,10-11H,3-7H2,1-2H3.
What are the key properties of 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione?
2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione has a molecular weight of 293.39 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3,6,7,8,9,9a-hexahydropyrido[1,2-a]pyrazine-1,4-dione is sourced from PubChem (CID 79929583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).