[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

C13H22N4S — CID 79924759

IUPAC[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCN3CCCCC3C2)sc1CN
InChIInChI=1S/C13H22N4S/c1-10-12(8-14)18-13(15-10)17-7-6-16-5-3-2-4-11(16)9-17/h11H,2-9,14H2,1H3
InChIKeyXWFHUXAHAQVYST-UHFFFAOYSA-N
MW266.41 g/mol
LogP1.58
Rot. Bonds2

About [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine

[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (PubChem CID 79924759) has the molecular formula C13H22N4S and a molecular weight of 266.41 g/mol. Its IUPAC name is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
PubChem CID79924759
Molecular FormulaC13H22N4S
Molecular Weight266.41 g/mol
Exact Mass266.16
IUPAC Name[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
SMILESCc1nc(N2CCN3CCCCC3C2)sc1CN
InChIInChI=1S/C13H22N4S/c1-10-12(8-14)18-13(15-10)17-7-6-16-5-3-2-4-11(16)9-17/h11H,2-9,14H2,1H3
InChIKeyXWFHUXAHAQVYST-UHFFFAOYSA-N
XLogP1.58
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine with MolForge

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Related Compounds

[4-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63916249
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
[2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 63915854
N-[[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 79935765
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 79920135
5-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-1,3-dimethylpyrazolo[5,4-d][1,3]thiazole
CID 97278378
1-[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanone
CID 79937420
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-tert-butyl-1,3-thiazol-5-yl]methanol
CID 79937237
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-6-methyl-3-pyridinyl]methanamine
CID 79931998
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
[2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511101
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-bromo-1,3,4-thiadiazole
CID 79003212

Frequently Asked Questions

What is the IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine (CID 79924759) is [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is Cc1nc(N2CCN3CCCCC3C2)sc1CN.
What is the InChIKey of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
The InChIKey is XWFHUXAHAQVYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4S/c1-10-12(8-14)18-13(15-10)17-7-6-16-5-3-2-4-11(16)9-17/h11H,2-9,14H2,1H3.
What are the key properties of [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine?
[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine has a molecular weight of 266.41 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-4-methyl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 79924759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).