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

C22H21F3N2OS — CID 59031084

IUPAC6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)Oc1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1
InChIInChI=1S/C22H21F3N2OS/c23-22(24,25)28-17-3-1-2-16(7-17)18-12-29-20-26-19(11-27(18)20)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,11-15H,4-6,8-10H2
InChIKeyOYVKSPCLENRXOZ-UHFFFAOYSA-N
MW418.48 g/mol
LogP6.43
Rot. Bonds3

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

6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 59031084) has the molecular formula C22H21F3N2OS and a molecular weight of 418.48 g/mol. Its IUPAC name is 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
PubChem CID59031084
Molecular FormulaC22H21F3N2OS
Molecular Weight418.48 g/mol
Exact Mass418.13
IUPAC Name6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)Oc1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1
InChIInChI=1S/C22H21F3N2OS/c23-22(24,25)28-17-3-1-2-16(7-17)18-12-29-20-26-19(11-27(18)20)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,11-15H,4-6,8-10H2
InChIKeyOYVKSPCLENRXOZ-UHFFFAOYSA-N
XLogP6.43
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.48
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1-adamantyl)-3-(3,5-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazole;hydrochloride
CID 69408524
6-(1-adamantyl)-3-[2-(trifluoromethyl)phenyl]imidazo[2,1-b][1,3]thiazole
CID 59031102
3-[6-(1-tricyclo[5.3.1.03,9]undecanyl)imidazo[2,1-b][1,3]thiazol-3-yl]aniline
CID 70307869
3-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-6-amine
CID 82479018
N-[6-(3-methoxyphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]adamantane-1-carboxamide
CID 108728899
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
2-[3-(trifluoromethoxy)phenyl]adamantane
CID 91149986
3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzonitrile
CID 134626602
4-[2-[3-(trifluoromethoxy)phenyl]phenyl]-1,3-thiazol-2-amine
CID 71463182
2-(2,8-diazaspiro[4.5]decan-8-yl)-6-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3,4]thiadiazole
CID 66748506

Frequently Asked Questions

What is the IUPAC name of 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole (CID 59031084) is 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)Oc1cccc(-c2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c1.
What is the InChIKey of 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is OYVKSPCLENRXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N2OS/c23-22(24,25)28-17-3-1-2-16(7-17)18-12-29-20-26-19(11-27(18)20)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,11-15H,4-6,8-10H2.
What are the key properties of 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole?
6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 418.48 g/mol, XLogP of 6.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-adamantyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59031084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).