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

C12H7FN2OS — CID 2759102

IUPAC6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C12H7FN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyNMJLTWCGJYJVDO-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.01
Rot. Bonds2

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

6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 2759102) has the molecular formula C12H7FN2OS and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID2759102
Molecular FormulaC12H7FN2OS
Molecular Weight246.27 g/mol
Exact Mass246.03
IUPAC Name6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2sccn12
InChIInChI=1S/C12H7FN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H
InChIKeyNMJLTWCGJYJVDO-UHFFFAOYSA-N
XLogP3.01
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-Phenylimidazo(2,1-b)(1,3)thiazole-5-carbaldehyde
CID 329948
N-(6-phenyl-5-imidazo[2,1-b]thiazolyl)benzamide
CID 786409
7-(2-oxo-2-phenylethyl)-6-phenyl-7H-imidazo[2,1-b][1,3]thiazol-4-ium bromide
CID 2879421
6-(4-fluorophenyl)-N,3-dimethyl-N-phenylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029632
3-(4-Fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
CID 2998084
(2,5-Dimethylphenyl)-(6-methyl-5-imidazo[2,1-b]thiazolyl)methanone
CID 2998377
3-(2-Fluorophenyl)-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylsulfanyl)quinazolin-4-one
CID 2998707
Imidazo[2,1-b][1,3]benzothiazol-2-yl(phenyl)methanone
CID 14067627
N-benzyl-6-(4-fluorophenyl)-N,3-dimethylimidazo[2,1-b]thiazole-2-carboxamide
CID 16029634
6-Phenylimidazo[2,1-b]thiazole
CID 320232
3-Methyl-6-phenylimidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 3245664
N-benzyl-6-methyl-imidazo[2,1-b]thiazole-5-carboxamide
CID 127042958

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 2759102) is 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nc2sccn12.
What is the InChIKey of 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is NMJLTWCGJYJVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7FN2OS/c13-9-3-1-8(2-4-9)11-10(7-16)15-5-6-17-12(15)14-11/h1-7H.
What are the key properties of 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 246.27 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 2759102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).