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

C12H14N4OS — CID 63026377

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N2CCn3ccnc3C2)sc1C=O
InChIInChI=1S/C12H14N4OS/c1-2-9-10(8-17)18-12(14-9)16-6-5-15-4-3-13-11(15)7-16/h3-4,8H,2,5-7H2,1H3
InChIKeyGPBGGKZSIVEHTJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.73
Rot. Bonds3

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde (PubChem CID 63026377) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde
PubChem CID63026377
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde
SMILESCCc1nc(N2CCn3ccnc3C2)sc1C=O
InChIInChI=1S/C12H14N4OS/c1-2-9-10(8-17)18-12(14-9)16-6-5-15-4-3-13-11(15)7-16/h3-4,8H,2,5-7H2,1H3
InChIKeyGPBGGKZSIVEHTJ-UHFFFAOYSA-N
XLogP1.73
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63026545
[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methanol
CID 107511034
4-ethyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-1,3-thiazole-5-carbaldehyde
CID 62969689
N-[[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 63026386
[4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-5-yl]methanol
CID 80692602
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66013841
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62764732
2-(azocan-1-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62766450
2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-propyl-1,3-thiazole-5-carbaldehyde
CID 62765585
2-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-ethylthieno[2,3-d]pyrimidin-2-yl]oxymethyl]-3-hydroxypropanal
CID 143953373
ethyl 2-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazol-4-yl]acetate
CID 80576722
N-[[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-3-methylphenyl]methyl]ethanamine
CID 63026595

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde (CID 63026377) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde is CCc1nc(N2CCn3ccnc3C2)sc1C=O.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde?
The InChIKey is GPBGGKZSIVEHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-9-10(8-17)18-12(14-9)16-6-5-15-4-3-13-11(15)7-16/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-ethyl-1,3-thiazole-5-carbaldehyde has a molecular weight of 262.34 g/mol, XLogP of 1.73, 3 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-ethyl-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 63026377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).