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

C13H9FN2OS — CID 39198947

IUPAC3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1nc2scc(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C13H9FN2OS/c1-8-11(6-17)16-12(7-18-13(16)15-8)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyHHPBBIXRSNNVMB-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.32
Rot. Bonds2

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

3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198947) has the molecular formula C13H9FN2OS and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198947
Molecular FormulaC13H9FN2OS
Molecular Weight260.29 g/mol
Exact Mass260.04
IUPAC Name3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCc1nc2scc(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C13H9FN2OS/c1-8-11(6-17)16-12(7-18-13(16)15-8)9-2-4-10(14)5-3-9/h2-7H,1H3
InChIKeyHHPBBIXRSNNVMB-UHFFFAOYSA-N
XLogP3.32
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenyl)-6-methylimidazo[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

3-(4-chlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198944
3-(3,4-dichlorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198971
6-(4-fluorophenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198505
3-(2-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199009
3-(2,3-dihydro-1H-indol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198538
3-(2,5-dimethoxyphenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39199016
6-methyl-3-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-amine
CID 82068565
(E)-3-[6-methyl-3-(4-propan-2-yloxyphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]prop-2-enoic acid
CID 39196278
6-(4-ethoxyphenyl)-3-phenylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198664
3-(4-methoxy-3-methylphenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
CID 39198880
[6-tert-butyl-3-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanamine
CID 39196560
2-[3-(4-fluorophenyl)-6-propan-2-ylimidazo[2,1-b][1,3]thiazol-5-yl]ethanamine
CID 82062511

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198947) is 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is Cc1nc2scc(-c3ccc(F)cc3)n2c1C=O.
What is the InChIKey of 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is HHPBBIXRSNNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2OS/c1-8-11(6-17)16-12(7-18-13(16)15-8)9-2-4-10(14)5-3-9/h2-7H,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 260.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).