2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

C11H15N5O2S — CID 120901642

IUPAC2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESNc1ncc(CN2CCN3C(=O)C(=O)NCC3C2)s1
InChIInChI=1S/C11H15N5O2S/c12-11-14-4-8(19-11)6-15-1-2-16-7(5-15)3-13-9(17)10(16)18/h4,7H,1-3,5-6H2,(H2,12,14)(H,13,17)
InChIKeyOALZLOHBRJKJHU-UHFFFAOYSA-N
MW281.34 g/mol
LogP-1.13
Rot. Bonds2

About 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione

2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (PubChem CID 120901642) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.

Molecular Properties

Compound Name2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
PubChem CID120901642
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione
SMILESNc1ncc(CN2CCN3C(=O)C(=O)NCC3C2)s1
InChIInChI=1S/C11H15N5O2S/c12-11-14-4-8(19-11)6-15-1-2-16-7(5-15)3-13-9(17)10(16)18/h4,7H,1-3,5-6H2,(H2,12,14)(H,13,17)
InChIKeyOALZLOHBRJKJHU-UHFFFAOYSA-N
XLogP-1.13
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771683
7-[(2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 75515098
1-[(2-amino-1,3-thiazol-5-yl)methyl]-1,4-diazepan-5-one;hydrochloride
CID 120899996
5-[(4-ethylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 82171608
9-[(2-amino-1,3-thiazol-5-yl)methyl]-3,9-diazabicyclo[4.2.1]nonan-4-one;hydrochloride
CID 120901077
2-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]ethanol
CID 120904205
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
5-[[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methyl]-1,3-thiazol-2-amine
CID 120897629
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120899926
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The IUPAC name of 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione (CID 120901642) is 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione.
What is the SMILES notation for 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The canonical SMILES for 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is Nc1ncc(CN2CCN3C(=O)C(=O)NCC3C2)s1.
What is the InChIKey of 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
The InChIKey is OALZLOHBRJKJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-11-14-4-8(19-11)6-15-1-2-16-7(5-15)3-13-9(17)10(16)18/h4,7H,1-3,5-6H2,(H2,12,14)(H,13,17).
What are the key properties of 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione?
2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione has a molecular weight of 281.34 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-1,3-thiazol-5-yl)methyl]-1,3,4,8,9,9a-hexahydropyrazino[1,2-a]pyrazine-6,7-dione is sourced from PubChem (CID 120901642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).