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

C11H12N4OS — CID 55142893

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCn3ccnc3C2)sc1C=O
InChIInChI=1S/C11H12N4OS/c1-8-9(7-16)17-11(13-8)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3
InChIKeyQEWPVZPLUHMCIN-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.48
Rot. Bonds2

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (PubChem CID 55142893) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
PubChem CID55142893
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
SMILESCc1nc(N2CCn3ccnc3C2)sc1C=O
InChIInChI=1S/C11H12N4OS/c1-8-9(7-16)17-11(13-8)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3
InChIKeyQEWPVZPLUHMCIN-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde (CID 55142893) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is Cc1nc(N2CCn3ccnc3C2)sc1C=O.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is QEWPVZPLUHMCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8-9(7-16)17-11(13-8)15-5-4-14-3-2-12-10(14)6-15/h2-3,7H,4-6H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 248.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 55142893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).