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

C19H13FN2O2S — CID 39198875

IUPAC3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2scc(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C19H13FN2O2S/c1-24-17-5-3-2-4-14(17)18-15(10-23)22-16(11-25-19(22)21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyHRNGCTSFLVYEMB-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.69
Rot. Bonds4

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

3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 39198875) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID39198875
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESCOc1ccccc1-c1nc2scc(-c3ccc(F)cc3)n2c1C=O
InChIInChI=1S/C19H13FN2O2S/c1-24-17-5-3-2-4-14(17)18-15(10-23)22-16(11-25-19(22)21-18)12-6-8-13(20)9-7-12/h2-11H,1H3
InChIKeyHRNGCTSFLVYEMB-UHFFFAOYSA-N
XLogP4.69
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.69
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)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 39198875) is 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is COc1ccccc1-c1nc2scc(-c3ccc(F)cc3)n2c1C=O.
What is the InChIKey of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is HRNGCTSFLVYEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c1-24-17-5-3-2-4-14(17)18-15(10-23)22-16(11-25-19(22)21-18)12-6-8-13(20)9-7-12/h2-11H,1H3.
What are the key properties of 3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
3-(4-fluorophenyl)-6-(2-methoxyphenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 352.39 g/mol, XLogP of 4.69, 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)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 39198875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).