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

C23H20F2N4OS — CID 27370386

IUPAC2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H20F2N4OS/c24-17-3-1-16(2-4-17)21-14-29-20(15-31-23(29)26-21)13-22(30)28-11-9-27(10-12-28)19-7-5-18(25)6-8-19/h1-8,14-15H,9-13H2
InChIKeyRSKPDICUONCKOD-UHFFFAOYSA-N
MW438.50 g/mol
LogP4.23
Rot. Bonds4

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

2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 27370386) has the molecular formula C23H20F2N4OS and a molecular weight of 438.50 g/mol. Its IUPAC name is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID27370386
Molecular FormulaC23H20F2N4OS
Molecular Weight438.50 g/mol
Exact Mass438.13
IUPAC Name2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H20F2N4OS/c24-17-3-1-16(2-4-17)21-14-29-20(15-31-23(29)26-21)13-22(30)28-11-9-27(10-12-28)19-7-5-18(25)6-8-19/h1-8,14-15H,9-13H2
InChIKeyRSKPDICUONCKOD-UHFFFAOYSA-N
XLogP4.23
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.50
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038670
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038678
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 22575945
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]acetate
CID 7479671
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
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]-N-(4-methylpiperazin-1-yl)acetamide
CID 40509494
3-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 30939691
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]propan-1-one
CID 30939669

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone (CID 27370386) is 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is RSKPDICUONCKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4OS/c24-17-3-1-16(2-4-17)21-14-29-20(15-31-23(29)26-21)13-22(30)28-11-9-27(10-12-28)19-7-5-18(25)6-8-19/h1-8,14-15H,9-13H2.
What are the key properties of 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone?
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 438.50 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 27370386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).