[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

C24H23FN4OS — CID 42811168

IUPAC[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4sccn34)CC2)cc1
InChIInChI=1S/C24H23FN4OS/c1-17-2-4-19(5-3-17)23(30)28-12-10-27(11-13-28)16-21-22(18-6-8-20(25)9-7-18)26-24-29(21)14-15-31-24/h2-9,14-15H,10-13,16H2,1H3
InChIKeyZTRZPMOKLDRXPG-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.47
Rot. Bonds4

About [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone

[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (PubChem CID 42811168) has the molecular formula C24H23FN4OS and a molecular weight of 434.54 g/mol. Its IUPAC name is [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
PubChem CID42811168
Molecular FormulaC24H23FN4OS
Molecular Weight434.54 g/mol
Exact Mass434.16
IUPAC Name[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4sccn34)CC2)cc1
InChIInChI=1S/C24H23FN4OS/c1-17-2-4-19(5-3-17)23(30)28-12-10-27(11-13-28)16-21-22(18-6-8-20(25)9-7-18)26-24-29(21)14-15-31-24/h2-9,14-15H,10-13,16H2,1H3
InChIKeyZTRZPMOKLDRXPG-UHFFFAOYSA-N
XLogP4.47
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]acetic acid
CID 82060205
1-(4-fluorobenzoyl)-N-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]piperidine-4-carboxamide
CID 55382648
(4S)-4-(hydroxymethyl)-1-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]azepan-4-ol
CID 95718212
(2-methoxyphenyl)-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56902651
6-(4-methylphenyl)-5-[[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 132581539
(4-fluorophenyl)-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]methanone
CID 33218328
6-(4-methoxyphenyl)-5-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazole;oxalic acid
CID 45156225
2-chloro-1-[4-[[6-(4-nitrophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 42803283
1-[4-[3-[[4-(3-fluorobenzoyl)piperazin-1-yl]methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272337
1-[4-[2-(4-methylphenyl)-3-[[4-(thiophene-2-carbonyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone
CID 83272329

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The IUPAC name of [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone (CID 42811168) is [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCN(Cc3c(-c4ccc(F)cc4)nc4sccn34)CC2)cc1.
What is the InChIKey of [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
The InChIKey is ZTRZPMOKLDRXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4OS/c1-17-2-4-19(5-3-17)23(30)28-12-10-27(11-13-28)16-21-22(18-6-8-20(25)9-7-18)26-24-29(21)14-15-31-24/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone?
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone has a molecular weight of 434.54 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 42811168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).