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

C20H15FN2O2S — CID 39198874

IUPAC3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2sc(C)c(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C20H15FN2O2S/c1-12-19(13-7-9-14(21)10-8-13)23-16(11-24)18(22-20(23)26-12)15-5-3-4-6-17(15)25-2/h3-11H,1-2H3
InChIKeyZANZMOHBBWDRJD-UHFFFAOYSA-N
MW366.42 g/mol
LogP5.00
Rot. Bonds4

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

3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198874) has the molecular formula C20H15FN2O2S and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198874
Molecular FormulaC20H15FN2O2S
Molecular Weight366.42 g/mol
Exact Mass366.08
IUPAC Name3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2sc(C)c(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C20H15FN2O2S/c1-12-19(13-7-9-14(21)10-8-13)23-16(11-24)18(22-20(23)26-12)15-5-3-4-6-17(15)25-2/h3-11H,1-2H3
InChIKeyZANZMOHBBWDRJD-UHFFFAOYSA-N
XLogP5.00
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198874) is 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccccc1-c1nc2sc(C)c(-c3ccc(F)cc3)n2c1C=O.
What is the InChIKey of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is ZANZMOHBBWDRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2S/c1-12-19(13-7-9-14(21)10-8-13)23-16(11-24)18(22-20(23)26-12)15-5-3-4-6-17(15)25-2/h3-11H,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 366.42 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-6-(2-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).