6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

C12H6F2N2O2S — CID 43554836

IUPAC6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2ccc(F)c(F)c2)nc2sccn12
InChIInChI=1S/C12H6F2N2O2S/c13-8-2-1-7(5-9(8)14)18-11-10(6-17)16-3-4-19-12(16)15-11/h1-6H
InChIKeyMQXVSWMFXMEHFC-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.28
Rot. Bonds3

About 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde

6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 43554836) has the molecular formula C12H6F2N2O2S and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID43554836
Molecular FormulaC12H6F2N2O2S
Molecular Weight280.25 g/mol
Exact Mass280.01
IUPAC Name6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(Oc2ccc(F)c(F)c2)nc2sccn12
InChIInChI=1S/C12H6F2N2O2S/c13-8-2-1-7(5-9(8)14)18-11-10(6-17)16-3-4-19-12(16)15-11/h1-6H
InChIKeyMQXVSWMFXMEHFC-UHFFFAOYSA-N
XLogP3.28
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107169612
6-(3,5-dimethoxyphenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43589938
6-(1-methylpyrazol-4-yl)oxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 116792967
6-(2-iodophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 43479767
6-[(4-chlorophenyl)methoxy]imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780516
6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 83234799
N-[[6-(3-fluoro-4-methylphenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 107169863
6-(4-bromo-2,5-dichlorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 107658896
6-pentoxyimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 112728119
1-[6-(3-bromo-4-fluorophenoxy)imidazo[2,1-b][1,3]thiazol-5-yl]-N-methylmethanamine
CID 83234476
6-(1-phenylethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780661
6-(2-ethoxyethoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 16780522

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 43554836) is 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(Oc2ccc(F)c(F)c2)nc2sccn12.
What is the InChIKey of 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is MQXVSWMFXMEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F2N2O2S/c13-8-2-1-7(5-9(8)14)18-11-10(6-17)16-3-4-19-12(16)15-11/h1-6H.
What are the key properties of 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 280.25 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenoxy)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 43554836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).