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

C24H22Cl2N4OS — CID 83285872

IUPAC(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cn2c(CN3CCN(C(=O)c4ccccc4Cl)CC3)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H22Cl2N4OS/c1-16-14-30-21(22(27-24(30)32-16)17-6-8-18(25)9-7-17)15-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)26/h2-9,14H,10-13,15H2,1H3
InChIKeyPPXFTWVLGVWKRU-UHFFFAOYSA-N
MW485.44 g/mol
LogP5.64
Rot. Bonds4

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

(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 83285872) has the molecular formula C24H22Cl2N4OS and a molecular weight of 485.44 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID83285872
Molecular FormulaC24H22Cl2N4OS
Molecular Weight485.44 g/mol
Exact Mass484.09
IUPAC Name(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCc1cn2c(CN3CCN(C(=O)c4ccccc4Cl)CC3)c(-c3ccc(Cl)cc3)nc2s1
InChIInChI=1S/C24H22Cl2N4OS/c1-16-14-30-21(22(27-24(30)32-16)17-6-8-18(25)9-7-17)15-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)26/h2-9,14H,10-13,15H2,1H3
InChIKeyPPXFTWVLGVWKRU-UHFFFAOYSA-N
XLogP5.64
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.44
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[4-[[6-(4-methoxyphenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811263
1-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 42803311
(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-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811271
N-ethyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42811293
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 121309682
(2-chlorophenyl)-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 19325396
2-[4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 129225915
[4-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 121309789
N-cyclohexyl-4-[[2-methyl-6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazine-1-carboxamide
CID 42803352
(2-fluorophenyl)-[4-[(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 24674451
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 83285872) is (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-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-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is Cc1cn2c(CN3CCN(C(=O)c4ccccc4Cl)CC3)c(-c3ccc(Cl)cc3)nc2s1.
What is the InChIKey of (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is PPXFTWVLGVWKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4OS/c1-16-14-30-21(22(27-24(30)32-16)17-6-8-18(25)9-7-17)15-28-10-12-29(13-11-28)23(31)19-4-2-3-5-20(19)26/h2-9,14H,10-13,15H2,1H3.
What are the key properties of (2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[[6-(4-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 485.44 g/mol, XLogP of 5.64, 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-chlorophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 83285872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).