6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole

C18H11F3N2S — CID 91826250

IUPAC6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cccc(-c2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C18H11F3N2S/c19-18(20,21)14-8-4-7-13(9-14)16-11-24-17-22-15(10-23(16)17)12-5-2-1-3-6-12/h1-11H
InChIKeyCWHJFZCXSCTEDE-UHFFFAOYSA-N
MW344.36 g/mol
LogP5.75
Rot. Bonds2

About 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole

6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 91826250) has the molecular formula C18H11F3N2S and a molecular weight of 344.36 g/mol. Its IUPAC name is 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID91826250
Molecular FormulaC18H11F3N2S
Molecular Weight344.36 g/mol
Exact Mass344.06
IUPAC Name6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cccc(-c2csc3nc(-c4ccccc4)cn23)c1
InChIInChI=1S/C18H11F3N2S/c19-18(20,21)14-8-4-7-13(9-14)16-11-24-17-22-15(10-23(16)17)12-5-2-1-3-6-12/h1-11H
InChIKeyCWHJFZCXSCTEDE-UHFFFAOYSA-N
XLogP5.75
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole (CID 91826250) is 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1cccc(-c2csc3nc(-c4ccccc4)cn23)c1.
What is the InChIKey of 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is CWHJFZCXSCTEDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2S/c19-18(20,21)14-8-4-7-13(9-14)16-11-24-17-22-15(10-23(16)17)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 344.36 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-[3-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 91826250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).