1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone

C22H18FN3OS — CID 22575945

IUPAC1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCc2ccccc2C1
InChIInChI=1S/C22H18FN3OS/c23-18-7-5-16(6-8-18)20-13-26-19(14-28-22(26)24-20)11-21(27)25-10-9-15-3-1-2-4-17(15)12-25/h1-8,13-14H,9-12H2
InChIKeyDVIYSEHZSUKHHJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.33
Rot. Bonds3

About 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (PubChem CID 22575945) has the molecular formula C22H18FN3OS and a molecular weight of 391.47 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
PubChem CID22575945
Molecular FormulaC22H18FN3OS
Molecular Weight391.47 g/mol
Exact Mass391.12
IUPAC Name1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCc2ccccc2C1
InChIInChI=1S/C22H18FN3OS/c23-18-7-5-16(6-8-18)20-13-26-19(14-28-22(26)24-20)11-21(27)25-10-9-15-3-1-2-4-17(15)12-25/h1-8,13-14H,9-12H2
InChIKeyDVIYSEHZSUKHHJ-UHFFFAOYSA-N
XLogP4.33
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
N-(2,6-diethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 24554959
1-(2,3-dihydroindol-1-yl)-2-[6-(3,4-dimethoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 53122659
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
N-(2-cyanophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 121038239
N-(3,5-dichlorophenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 29044539
N-(2,3-dimethylphenyl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetamide
CID 18575552

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The IUPAC name of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (CID 22575945) is 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.
What is the SMILES notation for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The canonical SMILES for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCc2ccccc2C1.
What is the InChIKey of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The InChIKey is DVIYSEHZSUKHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3OS/c23-18-7-5-16(6-8-18)20-13-26-19(14-28-22(26)24-20)11-21(27)25-10-9-15-3-1-2-4-17(15)12-25/h1-8,13-14H,9-12H2.
What are the key properties of 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone has a molecular weight of 391.47 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is sourced from PubChem (CID 22575945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).