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

C24H22ClFN4OS — CID 42811271

IUPAC(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1csc2nc(-c3ccc(F)cc3)c(CN3CCN(C(=O)c4ccccc4Cl)CC3)n12
InChIInChI=1S/C24H22ClFN4OS/c1-16-15-32-24-27-22(17-6-8-18(26)9-7-17)21(30(16)24)14-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)25/h2-9,15H,10-14H2,1H3
InChIKeyLIKXAIXUCGIWNL-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.12
Rot. Bonds4

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

(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42811271) has the molecular formula C24H22ClFN4OS and a molecular weight of 468.99 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID42811271
Molecular FormulaC24H22ClFN4OS
Molecular Weight468.99 g/mol
Exact Mass468.12
IUPAC Name(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1csc2nc(-c3ccc(F)cc3)c(CN3CCN(C(=O)c4ccccc4Cl)CC3)n12
InChIInChI=1S/C24H22ClFN4OS/c1-16-15-32-24-27-22(17-6-8-18(26)9-7-17)21(30(16)24)14-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)25/h2-9,15H,10-14H2,1H3
InChIKeyLIKXAIXUCGIWNL-UHFFFAOYSA-N
XLogP5.12
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-[(3-methyl-6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 42811274
(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 83285872
(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811263
[4-[[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 42811168
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
CID 42803276
[4-[(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 83290300
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
1-[4-(2-chlorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32761996
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
(2-methoxyphenyl)-[4-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 56902651

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 42811271) is (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1csc2nc(-c3ccc(F)cc3)c(CN3CCN(C(=O)c4ccccc4Cl)CC3)n12.
What is the InChIKey of (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is LIKXAIXUCGIWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN4OS/c1-16-15-32-24-27-22(17-6-8-18(26)9-7-17)21(30(16)24)14-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)25/h2-9,15H,10-14H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 468.99 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42811271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).