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

C19H13F3N2S — CID 1033100

IUPAC6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cccc(Cc2cn3cc(-c4ccccc4)nc3s2)c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)15-8-4-5-13(9-15)10-16-11-24-12-17(23-18(24)25-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2
InChIKeyPNCJVXNXGGETKK-UHFFFAOYSA-N
MW358.39 g/mol
LogP5.67
Rot. Bonds3

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

6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 1033100) has the molecular formula C19H13F3N2S and a molecular weight of 358.39 g/mol. Its IUPAC name is 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID1033100
Molecular FormulaC19H13F3N2S
Molecular Weight358.39 g/mol
Exact Mass358.08
IUPAC Name6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1cccc(Cc2cn3cc(-c4ccccc4)nc3s2)c1
InChIInChI=1S/C19H13F3N2S/c20-19(21,22)15-8-4-5-13(9-15)10-16-11-24-12-17(23-18(24)25-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2
InChIKeyPNCJVXNXGGETKK-UHFFFAOYSA-N
XLogP5.67
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole (CID 1033100) is 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1cccc(Cc2cn3cc(-c4ccccc4)nc3s2)c1.
What is the InChIKey of 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is PNCJVXNXGGETKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2S/c20-19(21,22)15-8-4-5-13(9-15)10-16-11-24-12-17(23-18(24)25-16)14-6-2-1-3-7-14/h1-9,11-12H,10H2.
What are the key properties of 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 358.39 g/mol, XLogP of 5.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-[[3-(trifluoromethyl)phenyl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 1033100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).