6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride

C12H12ClF3N2S — CID 159455563

IUPAC6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CN3CCSC3=N2)c1
InChIInChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-2-8(6-9)10-7-17-4-5-18-11(17)16-10;/h1-3,6,10H,4-5,7H2;1H
InChIKeyLTXSJJOOTNGXTN-UHFFFAOYSA-N
MW308.76 g/mol
LogP3.59
Rot. Bonds1

About 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride

6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (PubChem CID 159455563) has the molecular formula C12H12ClF3N2S and a molecular weight of 308.76 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
PubChem CID159455563
Molecular FormulaC12H12ClF3N2S
Molecular Weight308.76 g/mol
Exact Mass308.04
IUPAC Name6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2CN3CCSC3=N2)c1
InChIInChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-2-8(6-9)10-7-17-4-5-18-11(17)16-10;/h1-3,6,10H,4-5,7H2;1H
InChIKeyLTXSJJOOTNGXTN-UHFFFAOYSA-N
XLogP3.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.76
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
CID 21482912
N-[3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)phenyl]cyclohexa-1,4-diene-1-carboxamide
CID 13001782
1-methyl-3-[3-(trifluoromethyl)phenyl]pyrrolidine
CID 18722940
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
1-methyl-4-[3-(trifluoromethyl)phenyl]piperidine
CID 18722963
3-amino-2-[3-(trifluoromethyl)phenyl]azetidine-1-carbaldehyde
CID 87896115
1-methyl-3-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrrolo[3,2-c]pyridine
CID 167629812
cyclopropyl-[(2S)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7364657
[3-(trifluoromethyl)phenyl]-[(2R)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-3-yl]methanone
CID 7398446
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The IUPAC name of 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride (CID 159455563) is 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The canonical SMILES for 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride is Cl.FC(F)(F)c1cccc(C2CN3CCSC3=N2)c1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
The InChIKey is LTXSJJOOTNGXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2S.ClH/c13-12(14,15)9-3-1-2-8(6-9)10-7-17-4-5-18-11(17)16-10;/h1-3,6,10H,4-5,7H2;1H.
What are the key properties of 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride?
6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride has a molecular weight of 308.76 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenyl]-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole;hydrochloride is sourced from PubChem (CID 159455563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).