1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride

C12H20Cl2N4OS — CID 119941881

IUPAC1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)N1CCn2ccnc2C1
InChIInChI=1S/C12H18N4OS.2ClH/c17-12(7-10-9-18-6-2-13-10)16-5-4-15-3-1-14-11(15)8-16;;/h1,3,10,13H,2,4-9H2;2*1H
InChIKeyIGXQSDQFCUBKAQ-UHFFFAOYSA-N
MW339.29 g/mol
LogP1.16
Rot. Bonds2

About 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride

1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride (PubChem CID 119941881) has the molecular formula C12H20Cl2N4OS and a molecular weight of 339.29 g/mol. Its IUPAC name is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride.

Molecular Properties

Compound Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
PubChem CID119941881
Molecular FormulaC12H20Cl2N4OS
Molecular Weight339.29 g/mol
Exact Mass338.07
IUPAC Name1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
SMILESCl.Cl.O=C(CC1CSCCN1)N1CCn2ccnc2C1
InChIInChI=1S/C12H18N4OS.2ClH/c17-12(7-10-9-18-6-2-13-10)16-5-4-15-3-1-14-11(15)8-16;;/h1,3,10,13H,2,4-9H2;2*1H
InChIKeyIGXQSDQFCUBKAQ-UHFFFAOYSA-N
XLogP1.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride with MolForge

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Related Compounds

1-(7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-thiomorpholin-3-ylethanone
CID 66421640
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934886
1-(azetidin-1-yl)-2-thiomorpholin-3-ylethanone
CID 130547018
2-(4-aminocyclohexyl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63020386
2-bromo-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63680123
1-piperidin-1-yl-2-thiomorpholin-3-ylethanone
CID 66423001
1-(4-acetyl-1,4-diazepan-1-yl)-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119934846
1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941928
1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941169
1-[4-[2-(4-chlorophenyl)acetyl]piperazin-1-yl]-2-thiomorpholin-3-ylethanone;hydrochloride
CID 119936677
1-(4-cyclopentylpiperazin-1-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride
CID 119941029
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937036

Frequently Asked Questions

What is the IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The IUPAC name of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride (CID 119941881) is 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride.
What is the SMILES notation for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The canonical SMILES for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride is Cl.Cl.O=C(CC1CSCCN1)N1CCn2ccnc2C1.
What is the InChIKey of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
The InChIKey is IGXQSDQFCUBKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS.2ClH/c17-12(7-10-9-18-6-2-13-10)16-5-4-15-3-1-14-11(15)8-16;;/h1,3,10,13H,2,4-9H2;2*1H.
What are the key properties of 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride?
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride has a molecular weight of 339.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-thiomorpholin-3-ylethanone;dihydrochloride is sourced from PubChem (CID 119941881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).