6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C15H19N3OS — CID 63158274

IUPAC6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCC3(CCCC3)CC2)nc2sccn12
InChIInChI=1S/C15H19N3OS/c19-11-12-13(16-14-18(12)9-10-20-14)17-7-5-15(6-8-17)3-1-2-4-15/h9-11H,1-8H2
InChIKeyYQKQVLJWRCOEDI-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.37
Rot. Bonds2

About 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 63158274) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID63158274
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(N2CCC3(CCCC3)CC2)nc2sccn12
InChIInChI=1S/C15H19N3OS/c19-11-12-13(16-14-18(12)9-10-20-14)17-7-5-15(6-8-17)3-1-2-4-15/h9-11H,1-8H2
InChIKeyYQKQVLJWRCOEDI-UHFFFAOYSA-N
XLogP3.37
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 63158274) is 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(N2CCC3(CCCC3)CC2)nc2sccn12.
What is the InChIKey of 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is YQKQVLJWRCOEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c19-11-12-13(16-14-18(12)9-10-20-14)17-7-5-15(6-8-17)3-1-2-4-15/h9-11H,1-8H2.
What are the key properties of 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 289.40 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-azaspiro[4.5]decan-8-yl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 63158274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).