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

C24H22Cl2N4O2S — CID 121038678

IUPAC1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)csc3n2)cc1
InChIInChI=1S/C24H22Cl2N4O2S/c1-32-19-5-2-16(3-6-19)22-14-30-18(15-33-24(30)27-22)13-23(31)29-10-8-28(9-11-29)17-4-7-20(25)21(26)12-17/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyQHQZWYUGMFOGKI-UHFFFAOYSA-N
MW501.44 g/mol
LogP5.27
Rot. Bonds5

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

1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (PubChem CID 121038678) has the molecular formula C24H22Cl2N4O2S and a molecular weight of 501.44 g/mol. Its IUPAC name is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
PubChem CID121038678
Molecular FormulaC24H22Cl2N4O2S
Molecular Weight501.44 g/mol
Exact Mass500.08
IUPAC Name1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
SMILESCOc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)csc3n2)cc1
InChIInChI=1S/C24H22Cl2N4O2S/c1-32-19-5-2-16(3-6-19)22-14-30-18(15-33-24(30)27-22)13-23(31)29-10-8-28(9-11-29)17-4-7-20(25)21(26)12-17/h2-7,12,14-15H,8-11,13H2,1H3
InChIKeyQHQZWYUGMFOGKI-UHFFFAOYSA-N
XLogP5.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 121038670
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
2-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 27370386
2-[6-(4-methylphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 121038802
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 7522415
2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 29044561
[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42270017
2-[6-(4-chlorophenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-pyrrolidin-1-ylethanone
CID 7522263
[4-(2-chlorophenyl)piperazin-1-yl]-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]methanone
CID 42270014
2-(6-phenylimidazo[2,1-b][1,3]thiazol-3-yl)-1-piperazin-1-ylethanone
CID 39161884
2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 121038624
1-(4-benzylpiperidin-1-yl)-2-[6-(3-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone
CID 29044557

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The IUPAC name of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone (CID 121038678) is 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is COc1ccc(-c2cn3c(CC(=O)N4CCN(c5ccc(Cl)c(Cl)c5)CC4)csc3n2)cc1.
What is the InChIKey of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
The InChIKey is QHQZWYUGMFOGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O2S/c1-32-19-5-2-16(3-6-19)22-14-30-18(15-33-24(30)27-22)13-23(31)29-10-8-28(9-11-29)17-4-7-20(25)21(26)12-17/h2-7,12,14-15H,8-11,13H2,1H3.
What are the key properties of 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone?
1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone has a molecular weight of 501.44 g/mol, XLogP of 5.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-2-[6-(4-methoxyphenyl)imidazo[2,1-b][1,3]thiazol-3-yl]ethanone is sourced from PubChem (CID 121038678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).