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

C10H9ClN4OS — CID 80687705

IUPAC4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C10H9ClN4OS/c11-9-7(6-16)17-10(13-9)15-4-3-14-2-1-12-8(14)5-15/h1-2,6H,3-5H2
InChIKeyXVKVKLXRNWRVPK-UHFFFAOYSA-N
MW268.73 g/mol
LogP1.83
Rot. Bonds2

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

4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (PubChem CID 80687705) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
PubChem CID80687705
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
SMILESO=Cc1sc(N2CCn3ccnc3C2)nc1Cl
InChIInChI=1S/C10H9ClN4OS/c11-9-7(6-16)17-10(13-9)15-4-3-14-2-1-12-8(14)5-15/h1-2,6H,3-5H2
InChIKeyXVKVKLXRNWRVPK-UHFFFAOYSA-N
XLogP1.83
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 51.83
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

4-chloro-2-(1-methyl-1H-imidazol-2-ylthio)thiazole-5-carbaldehyde
CID 45036819
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methyl-1,3-thiazole-5-carbaldehyde
CID 55142893
methyl 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylate
CID 63024857
Methyl 4-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 63025035
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
CID 63025721
2-[Methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 63025884
4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carboxylic acid
CID 80687100
4-chloro-2-(2-propyl-1H-imidazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687439
4-Chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1,3-thiazole-5-carbaldehyde
CID 80687706
4-chloro-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde
CID 80687800
4-Chloro-2-(1H-imidazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80687895
4-Chloro-2-(2-methyl-1H-imidazol-1-yl)-1,3-thiazole-5-carbaldehyde
CID 80688088

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The IUPAC name of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde (CID 80687705) is 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde.
What is the SMILES notation for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The canonical SMILES for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is O=Cc1sc(N2CCn3ccnc3C2)nc1Cl.
What is the InChIKey of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
The InChIKey is XVKVKLXRNWRVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c11-9-7(6-16)17-10(13-9)15-4-3-14-2-1-12-8(14)5-15/h1-2,6H,3-5H2.
What are the key properties of 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde?
4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde has a molecular weight of 268.73 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-1,3-thiazole-5-carbaldehyde is sourced from PubChem (CID 80687705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).