1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone

C11H12N4OS — CID 64544431

IUPAC1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H12N4OS/c1-8(16)9-7-17-11(13-9)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3
InChIKeyOAXKVNWSMPQTMP-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds2

About 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone

1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone (PubChem CID 64544431) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
PubChem CID64544431
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone
SMILESCC(=O)c1csc(N2CCn3ccnc3C2)n1
InChIInChI=1S/C11H12N4OS/c1-8(16)9-7-17-11(13-9)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3
InChIKeyOAXKVNWSMPQTMP-UHFFFAOYSA-N
XLogP1.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The IUPAC name of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone (CID 64544431) is 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The canonical SMILES for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone is CC(=O)c1csc(N2CCn3ccnc3C2)n1.
What is the InChIKey of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
The InChIKey is OAXKVNWSMPQTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8(16)9-7-17-11(13-9)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3.
What are the key properties of 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone?
1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone has a molecular weight of 248.31 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]ethanone is sourced from PubChem (CID 64544431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).