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

C26H20F2N4OS — CID 22523749

IUPAC[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H20F2N4OS/c27-19-4-1-17(2-5-19)22-16-32-23-10-3-18(15-24(23)34-26(32)29-22)25(33)31-13-11-30(12-14-31)21-8-6-20(28)7-9-21/h1-10,15-16H,11-14H2
InChIKeyBYIDRAIKSVXTHF-UHFFFAOYSA-N
MW474.54 g/mol
LogP5.46
Rot. Bonds3

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

[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 22523749) has the molecular formula C26H20F2N4OS and a molecular weight of 474.54 g/mol. Its IUPAC name is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID22523749
Molecular FormulaC26H20F2N4OS
Molecular Weight474.54 g/mol
Exact Mass474.13
IUPAC Name[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C26H20F2N4OS/c27-19-4-1-17(2-5-19)22-16-32-23-10-3-18(15-24(23)34-26(32)29-22)25(33)31-13-11-30(12-14-31)21-8-6-20(28)7-9-21/h1-10,15-16H,11-14H2
InChIKeyBYIDRAIKSVXTHF-UHFFFAOYSA-N
XLogP5.46
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.54
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 22523647
(2-phenylimidazo[2,1-b][1,3]benzothiazol-6-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 22523687
[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-morpholin-4-ylmethanone
CID 22523538
[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 42269953
2-(4-pyrrolidin-1-ylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-ol
CID 51002653
N-butan-2-yl-2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523757
2-(4-chlorophenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 20886950
(4-benzylpiperidin-1-yl)-[2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]methanone
CID 22523470
2-[4-(methylcarbamoyl)phenyl]imidazo[2,1-b][1,3]benzothiazole-6-carboxylic acid
CID 164571923
4-[2-(4-nitrophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]morpholine
CID 66592801
N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazole-6-carboxamide
CID 22523573
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 22523749) is [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)sc1nc(-c3ccc(F)cc3)cn12)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is BYIDRAIKSVXTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F2N4OS/c27-19-4-1-17(2-5-19)22-16-32-23-10-3-18(15-24(23)34-26(32)29-22)25(33)31-13-11-30(12-14-31)21-8-6-20(28)7-9-21/h1-10,15-16H,11-14H2.
What are the key properties of [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 474.54 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)imidazo[2,1-b][1,3]benzothiazol-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22523749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).