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

C16H19N3OS2 — CID 56821389

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H19N3OS2/c20-16(13-11-22-15(17-13)14-5-3-9-21-14)19-8-7-18-6-2-1-4-12(18)10-19/h3,5,9,11-12H,1-2,4,6-8,10H2
InChIKeyZWZDTEATTJFLPJ-UHFFFAOYSA-N
MW333.48 g/mol
LogP3.18
Rot. Bonds2

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

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (PubChem CID 56821389) has the molecular formula C16H19N3OS2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
PubChem CID56821389
Molecular FormulaC16H19N3OS2
Molecular Weight333.48 g/mol
Exact Mass333.10
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
SMILESO=C(c1csc(-c2cccs2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H19N3OS2/c20-16(13-11-22-15(17-13)14-5-3-9-21-14)19-8-7-18-6-2-1-4-12(18)10-19/h3,5,9,11-12H,1-2,4,6-8,10H2
InChIKeyZWZDTEATTJFLPJ-UHFFFAOYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The IUPAC name of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone (CID 56821389) is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is O=C(c1csc(-c2cccs2)n1)N1CCN2CCCCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
The InChIKey is ZWZDTEATTJFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS2/c20-16(13-11-22-15(17-13)14-5-3-9-21-14)19-8-7-18-6-2-1-4-12(18)10-19/h3,5,9,11-12H,1-2,4,6-8,10H2.
What are the key properties of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone?
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone has a molecular weight of 333.48 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 56821389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).