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

C12H5F3N2OS — CID 54770458

IUPAC6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(F)c(F)cc2F)nc2sccn12
InChIInChI=1S/C12H5F3N2OS/c13-7-4-9(15)8(14)3-6(7)11-10(5-18)17-1-2-19-12(17)16-11/h1-5H
InChIKeySIULAAQNJQJPBD-UHFFFAOYSA-N
MW282.25 g/mol
LogP3.29
Rot. Bonds2

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

6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (PubChem CID 54770458) has the molecular formula C12H5F3N2OS and a molecular weight of 282.25 g/mol. Its IUPAC name is 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.

Molecular Properties

Compound Name6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
PubChem CID54770458
Molecular FormulaC12H5F3N2OS
Molecular Weight282.25 g/mol
Exact Mass282.01
IUPAC Name6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde
SMILESO=Cc1c(-c2cc(F)c(F)cc2F)nc2sccn12
InChIInChI=1S/C12H5F3N2OS/c13-7-4-9(15)8(14)3-6(7)11-10(5-18)17-1-2-19-12(17)16-11/h1-5H
InChIKeySIULAAQNJQJPBD-UHFFFAOYSA-N
XLogP3.29
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The IUPAC name of 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde (CID 54770458) is 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde.
What is the SMILES notation for 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The canonical SMILES for 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is O=Cc1c(-c2cc(F)c(F)cc2F)nc2sccn12.
What is the InChIKey of 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
The InChIKey is SIULAAQNJQJPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2OS/c13-7-4-9(15)8(14)3-6(7)11-10(5-18)17-1-2-19-12(17)16-11/h1-5H.
What are the key properties of 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde?
6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde has a molecular weight of 282.25 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,5-trifluorophenyl)imidazo[2,1-b][1,3]thiazole-5-carbaldehyde is sourced from PubChem (CID 54770458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).