6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C11H14N2O2S — CID 112728119

IUPAC6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCCCOc1nc2sccn2c1C=O
InChIInChI=1S/C11H14N2O2S/c1-2-3-4-6-15-10-9(8-14)13-5-7-16-11(13)12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyUQOXPMQBRQCCDK-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.78
Rot. Bonds6

About 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 112728119) has the molecular formula C11H14N2O2S and a molecular weight of 238.31 g/mol. Its IUPAC name is 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID112728119
Molecular FormulaC11H14N2O2S
Molecular Weight238.31 g/mol
Exact Mass238.08
IUPAC Name6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCCCCCOc1nc2sccn2c1C=O
InChIInChI=1S/C11H14N2O2S/c1-2-3-4-6-15-10-9(8-14)13-5-7-16-11(13)12-10/h5,7-8H,2-4,6H2,1H3
InChIKeyUQOXPMQBRQCCDK-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
6-propylsulfanylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 20982629
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(4-ethoxy-3,5-dimethylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 3819350
6-[bis(2-methoxyethyl)amino]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 61418584
6-(3-methylcyclohexyl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16779941
6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43554836

Frequently Asked Questions

What is the IUPAC name of 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 112728119) is 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is CCCCCOc1nc2sccn2c1C=O.
What is the InChIKey of 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is UQOXPMQBRQCCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S/c1-2-3-4-6-15-10-9(8-14)13-5-7-16-11(13)12-10/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 238.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 112728119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).