6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole

C18H12ClFN2S — CID 15991405

IUPAC6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFc1ccccc1Cc1cn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C18H12ClFN2S/c19-14-7-5-12(6-8-14)17-11-22-10-15(23-18(22)21-17)9-13-3-1-2-4-16(13)20/h1-8,10-11H,9H2
InChIKeyCPNCEHAPYQLZMK-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.45
Rot. Bonds3

About 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole

6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 15991405) has the molecular formula C18H12ClFN2S and a molecular weight of 342.83 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID15991405
Molecular FormulaC18H12ClFN2S
Molecular Weight342.83 g/mol
Exact Mass342.04
IUPAC Name6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESFc1ccccc1Cc1cn2cc(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C18H12ClFN2S/c19-14-7-5-12(6-8-14)17-11-22-10-15(23-18(22)21-17)9-13-3-1-2-4-16(13)20/h1-8,10-11H,9H2
InChIKeyCPNCEHAPYQLZMK-UHFFFAOYSA-N
XLogP5.45
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.83
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole (CID 15991405) is 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole is Fc1ccccc1Cc1cn2cc(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CPNCEHAPYQLZMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2S/c19-14-7-5-12(6-8-14)17-11-22-10-15(23-18(22)21-17)9-13-3-1-2-4-16(13)20/h1-8,10-11H,9H2.
What are the key properties of 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole?
6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 342.83 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-[(2-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15991405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).