cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone

C26H28N4O2S — CID 42811179

IUPACcyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3sc4cc(C)ccc4n3c2CN2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C26H28N4O2S/c1-17-6-9-21-23(14-17)33-26-27-24(19-4-3-5-20(15-19)32-2)22(30(21)26)16-28-10-12-29(13-11-28)25(31)18-7-8-18/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3
InChIKeyZRKFUCHUSIOHIF-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.59
Rot. Bonds5

About cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone

cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone (PubChem CID 42811179) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
PubChem CID42811179
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Namecyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cccc(-c2nc3sc4cc(C)ccc4n3c2CN2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C26H28N4O2S/c1-17-6-9-21-23(14-17)33-26-27-24(19-4-3-5-20(15-19)32-2)22(30(21)26)16-28-10-12-29(13-11-28)25(31)18-7-8-18/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3
InChIKeyZRKFUCHUSIOHIF-UHFFFAOYSA-N
XLogP4.59
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[6-methoxy-2-(4-methylphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42811623
[4-[[6-bromo-2-(3-methoxyphenyl)-7,8-dihydroimidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 144748049
1-[[2-(4-methoxyphenyl)imidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperidine-4-carboxylic acid
CID 2759641
1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
CID 42803276
N-tert-butyl-4-[(6-chloro-2-phenylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl]piperazine-1-carboxamide
CID 42811291
2-[3-[[4-(cyclobutanecarbonyl)piperazin-1-yl]methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-6-yl]benzamide
CID 121309737
1-[4-[[6-(2,5-dimethylphenyl)-2-(3-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]propan-1-one
CID 83281400
cyclopentyl-[4-[2-[2-(3-methoxyphenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]ethyl]piperazin-1-yl]methanone
CID 144747975
cyclobutyl-[4-[[6-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83285824
1-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286683
(2-chlorophenyl)-[4-[[2-(3-methoxyphenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]methanone
CID 83277085
(4-ethylpiperazin-1-yl)-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]methanone
CID 795804

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone (CID 42811179) is cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone is COc1cccc(-c2nc3sc4cc(C)ccc4n3c2CN2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is ZRKFUCHUSIOHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-17-6-9-21-23(14-17)33-26-27-24(19-4-3-5-20(15-19)32-2)22(30(21)26)16-28-10-12-29(13-11-28)25(31)18-7-8-18/h3-6,9,14-15,18H,7-8,10-13,16H2,1-2H3.
What are the key properties of cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 460.60 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 42811179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).