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

C17H21N5OS — CID 56799896

IUPAC1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ncccn2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N5OS/c23-15(22-9-8-21-7-2-1-4-14(21)11-22)10-13-12-24-17(20-13)16-18-5-3-6-19-16/h3,5-6,12,14H,1-2,4,7-11H2
InChIKeyFXROBLVEQJRQHF-UHFFFAOYSA-N
MW343.46 g/mol
LogP1.84
Rot. Bonds3

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

1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 56799896) has the molecular formula C17H21N5OS and a molecular weight of 343.46 g/mol. Its IUPAC name is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID56799896
Molecular FormulaC17H21N5OS
Molecular Weight343.46 g/mol
Exact Mass343.15
IUPAC Name1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone
SMILESO=C(Cc1csc(-c2ncccn2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C17H21N5OS/c23-15(22-9-8-21-7-2-1-4-14(21)11-22)10-13-12-24-17(20-13)16-18-5-3-6-19-16/h3,5-6,12,14H,1-2,4,7-11H2
InChIKeyFXROBLVEQJRQHF-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.46
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone (CID 56799896) is 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is O=C(Cc1csc(-c2ncccn2)n1)N1CCN2CCCCC2C1.
What is the InChIKey of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is FXROBLVEQJRQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5OS/c23-15(22-9-8-21-7-2-1-4-14(21)11-22)10-13-12-24-17(20-13)16-18-5-3-6-19-16/h3,5-6,12,14H,1-2,4,7-11H2.
What are the key properties of 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone?
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 343.46 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 56799896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).