6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

C18H18F3N3S — CID 24594004

IUPAC6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1
InChIInChI=1S/C18H18F3N3S/c19-18(20,21)14-7-4-8-23(11-14)12-15-16(13-5-2-1-3-6-13)22-17-24(15)9-10-25-17/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyAKCLWHXISAUEFH-UHFFFAOYSA-N
MW365.42 g/mol
LogP4.84
Rot. Bonds3

About 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole

6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 24594004) has the molecular formula C18H18F3N3S and a molecular weight of 365.42 g/mol. Its IUPAC name is 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID24594004
Molecular FormulaC18H18F3N3S
Molecular Weight365.42 g/mol
Exact Mass365.12
IUPAC Name6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
SMILESFC(F)(F)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1
InChIInChI=1S/C18H18F3N3S/c19-18(20,21)14-7-4-8-23(11-14)12-15-16(13-5-2-1-3-6-13)22-17-24(15)9-10-25-17/h1-3,5-6,9-10,14H,4,7-8,11-12H2
InChIKeyAKCLWHXISAUEFH-UHFFFAOYSA-N
XLogP4.84
TPSA20.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-3-carboxylate
CID 24593743
N,N-diethyl-1-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperidine-4-carboxamide
CID 3481631
(3S)-3-(trifluoromethyl)-1-[[2-[[(3S)-3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 97313441
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
ethyl (3S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3-carboxylate
CID 31405483
trimethyl-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]azanium
CID 4880467
(4S)-4-(hydroxymethyl)-1-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]azepan-4-ol
CID 95718212
(3R,5S)-1-[[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperidine-3,4,5-triol
CID 166256198
ethane;5-methyl-6-phenylimidazo[2,1-b][1,3]thiazole
CID 144628970
3-(trifluoromethyl)-1-[[3-[[3-(trifluoromethyl)piperidin-1-yl]methyl]phenyl]methyl]piperidine
CID 71901278
2-phenyl-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 122183039
[5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557056

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole (CID 24594004) is 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is FC(F)(F)C1CCCN(Cc2c(-c3ccccc3)nc3sccn23)C1.
What is the InChIKey of 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is AKCLWHXISAUEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3S/c19-18(20,21)14-7-4-8-23(11-14)12-15-16(13-5-2-1-3-6-13)22-17-24(15)9-10-25-17/h1-3,5-6,9-10,14H,4,7-8,11-12H2.
What are the key properties of 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole?
6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 365.42 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5-[[3-(trifluoromethyl)piperidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 24594004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).