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

C18H12ClFN2S — CID 15991411

IUPAC2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1
InChIInChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2
InChIKeyBHSWXQATABOUTG-UHFFFAOYSA-N
MW342.83 g/mol
LogP5.45
Rot. Bonds3

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

2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 15991411) has the molecular formula C18H12ClFN2S and a molecular weight of 342.83 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID15991411
Molecular FormulaC18H12ClFN2S
Molecular Weight342.83 g/mol
Exact Mass342.04
IUPAC Name2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole
SMILESFc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1
InChIInChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2
InChIKeyBHSWXQATABOUTG-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 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole (CID 15991411) is 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is Fc1ccc(-c2cn3cc(Cc4ccc(Cl)cc4)sc3n2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is BHSWXQATABOUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClFN2S/c19-14-5-1-12(2-6-14)9-16-10-22-11-17(21-18(22)23-16)13-3-7-15(20)8-4-13/h1-8,10-11H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole?
2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)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 2-[(4-chlorophenyl)methyl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 15991411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).