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

C22H21F3N2S — CID 59031102

IUPAC6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1ccccc1-c1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12
InChIInChI=1S/C22H21F3N2S/c23-22(24,25)17-4-2-1-3-16(17)18-12-28-20-26-19(11-27(18)20)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11-15H,5-10H2
InChIKeyYUWGGJQEVZSERP-UHFFFAOYSA-N
MW402.49 g/mol
LogP6.55
Rot. Bonds2

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

6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59031102) has the molecular formula C22H21F3N2S and a molecular weight of 402.49 g/mol. Its IUPAC name is 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID59031102
Molecular FormulaC22H21F3N2S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC Name6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)c1ccccc1-c1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12
InChIInChI=1S/C22H21F3N2S/c23-22(24,25)17-4-2-1-3-16(17)18-12-28-20-26-19(11-27(18)20)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11-15H,5-10H2
InChIKeyYUWGGJQEVZSERP-UHFFFAOYSA-N
XLogP6.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 56.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]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-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole (CID 59031102) is 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)c1ccccc1-c1csc2nc(C34CC5CC(CC(C5)C3)C4)cn12.
What is the InChIKey of 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is YUWGGJQEVZSERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2S/c23-22(24,25)17-4-2-1-3-16(17)18-12-28-20-26-19(11-27(18)20)21-8-13-5-14(9-21)7-15(6-13)10-21/h1-4,11-15H,5-10H2.
What are the key properties of 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole?
6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 402.49 g/mol, XLogP of 6.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59031102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).