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

C16H19N3O2S — CID 56821359

IUPAC1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H19N3O2S/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
InChIKeyNVHQLVRNZZYSKO-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.71
Rot. Bonds2

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

1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone (PubChem CID 56821359) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-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-(furan-2-yl)-1,3-thiazol-4-yl]methanone
PubChem CID56821359
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone
SMILESO=C(c1csc(-c2ccco2)n1)N1CCN2CCCCC2C1
InChIInChI=1S/C16H19N3O2S/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
InChIKeyNVHQLVRNZZYSKO-UHFFFAOYSA-N
XLogP2.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-2-yl)-N-(furan-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 2821636
1-[4-(Furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]ethanone
CID 2574326
2-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2591316
[2-(furan-2-yl)-1,3-thiazol-4-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone
CID 42889999
(2-(Furan-2-yl)-1,3-thiazol-4-yl)methanamine
CID 60718965
2-(Furan-2-yl)-1,3-thiazole-4-carbaldehyde
CID 45792407
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 2466133
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 10826541
(2-Benzylphenyl)-[4-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 25527010
[4-[[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 29698183
N-(4-Fluorobenzyl)-2-(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)acetamide
CID 30486580
(2-Fluorophenyl)(4-((4-(furan-2-yl)thiazol-2-yl)methyl)piperazin-1-yl)methanone
CID 30860537

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-(furan-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-(furan-2-yl)-1,3-thiazol-4-yl]methanone (CID 56821359) is 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-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-(furan-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-(furan-2-yl)-1,3-thiazol-4-yl]methanone is O=C(c1csc(-c2ccco2)n1)N1CCN2CCCCC2C1.
What is the InChIKey of 1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
The InChIKey is NVHQLVRNZZYSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/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-(furan-2-yl)-1,3-thiazol-4-yl]methanone?
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-[2-(furan-2-yl)-1,3-thiazol-4-yl]methanone has a molecular weight of 317.41 g/mol, XLogP of 2.71, 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-(furan-2-yl)-1,3-thiazol-4-yl]methanone is sourced from PubChem (CID 56821359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).