7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

C12H17N5O2S — CID 79091741

IUPAC7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)c1nc(C(=O)N2CCN3C(=O)NCC3C2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(13)10-15-9(6-20-10)11(18)16-2-3-17-8(5-16)4-14-12(17)19/h6-8H,2-5,13H2,1H3,(H,14,19)
InChIKeyZJDIGALMUXBOCB-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.01
Rot. Bonds2

About 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one

7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 79091741) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
PubChem CID79091741
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
SMILESCC(N)c1nc(C(=O)N2CCN3C(=O)NCC3C2)cs1
InChIInChI=1S/C12H17N5O2S/c1-7(13)10-15-9(6-20-10)11(18)16-2-3-17-8(5-16)4-14-12(17)19/h6-8H,2-5,13H2,1H3,(H,14,19)
InChIKeyZJDIGALMUXBOCB-UHFFFAOYSA-N
XLogP0.01
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 107217663
7-(1,3-thiazole-4-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79096465
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103495456
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 3773363
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]morpholine-2-carboxylic acid
CID 66389919
methyl 4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperazine-1-carboxylate
CID 66388535
4-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 66388121
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66389634
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(3-methoxy-4-methylpiperidin-1-yl)methanone
CID 102957497
[2-(1-aminoethyl)-1,3-thiazol-4-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 114409397
7-(3-amino-1H-1,2,4-triazole-5-carbonyl)-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one
CID 79092352
2-[1-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]piperidin-4-yl]acetamide
CID 66388714

Frequently Asked Questions

What is the IUPAC name of 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one (CID 79091741) is 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is CC(N)c1nc(C(=O)N2CCN3C(=O)NCC3C2)cs1.
What is the InChIKey of 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is ZJDIGALMUXBOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-7(13)10-15-9(6-20-10)11(18)16-2-3-17-8(5-16)4-14-12(17)19/h6-8H,2-5,13H2,1H3,(H,14,19).
What are the key properties of 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one?
7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 295.37 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 79091741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).