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

C18H11FN2OS — CID 39198505

IUPAC6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C18H11FN2OS/c19-14-8-6-13(7-9-14)17-15(10-22)21-16(11-23-18(21)20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyAQONMPFUEYUAMT-UHFFFAOYSA-N
MW322.36 g/mol
LogP4.68
Rot. Bonds3

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

6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198505) has the molecular formula C18H11FN2OS and a molecular weight of 322.36 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198505
Molecular FormulaC18H11FN2OS
Molecular Weight322.36 g/mol
Exact Mass322.06
IUPAC Name6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nc2scc(-c3ccccc3)n12
InChIInChI=1S/C18H11FN2OS/c19-14-8-6-13(7-9-14)17-15(10-22)21-16(11-23-18(21)20-17)12-4-2-1-3-5-12/h1-11H
InChIKeyAQONMPFUEYUAMT-UHFFFAOYSA-N
XLogP4.68
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 54.68
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-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198947
3-(2,3-dihydro-1H-indol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198538
6-(2,5-dimethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198905
3,5,6-triphenylimidazo[2,1-b][1,3]thiazole
CID 10760466
3,6-diphenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 82068552
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
6-(2,6-difluorophenyl)-N-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579215
2,3-dimethyl-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 82036098
3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-methyl-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39080225
7-hydroxy-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 135542318

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198505) is 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nc2scc(-c3ccccc3)n12.
What is the InChIKey of 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is AQONMPFUEYUAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN2OS/c19-14-8-6-13(7-9-14)17-15(10-22)21-16(11-23-18(21)20-17)12-4-2-1-3-5-12/h1-11H.
What are the key properties of 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 322.36 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).