1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one

C24H32N4O2S — CID 42803276

IUPAC1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3scc(C)n23)CC1
InChIInChI=1S/C24H32N4O2S/c1-4-5-6-10-22(29)27-13-11-26(12-14-27)16-21-23(19-8-7-9-20(15-19)30-3)25-24-28(21)18(2)17-31-24/h7-9,15,17H,4-6,10-14,16H2,1-3H3
InChIKeyQLSWMZWXIPFTOV-UHFFFAOYSA-N
MW440.61 g/mol
LogP4.60
Rot. Bonds8

About 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one

1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one (PubChem CID 42803276) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one.

Molecular Properties

Compound Name1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
PubChem CID42803276
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one
SMILESCCCCCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3scc(C)n23)CC1
InChIInChI=1S/C24H32N4O2S/c1-4-5-6-10-22(29)27-13-11-26(12-14-27)16-21-23(19-8-7-9-20(15-19)30-3)25-24-28(21)18(2)17-31-24/h7-9,15,17H,4-6,10-14,16H2,1-3H3
InChIKeyQLSWMZWXIPFTOV-UHFFFAOYSA-N
XLogP4.60
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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
cyclopropyl-[4-[[2-(3-methoxyphenyl)-6-methylimidazo[2,1-b][1,3]benzothiazol-1-yl]methyl]piperazin-1-yl]methanone
CID 42811179
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
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pentan-1-one
CID 110398877
1-[4-[2-(3-methoxyphenyl)ethyl]piperazin-1-yl]pentan-1-one
CID 110412296
1-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]decan-1-one
CID 3309254
(2-chlorophenyl)-[4-[[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]methanone
CID 42811271
4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 38132380
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
1-[4-[1-(3-methoxyphenyl)-5-(4-methoxyphenyl)-2-methylpyrrole-3-carbonyl]piperazin-1-yl]decan-1-one
CID 42792061
N-ethyl-4-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]methyl]piperazine-1-carboxamide
CID 30868820
3-(3-methoxyphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398756

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one?
The IUPAC name of 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one (CID 42803276) is 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one.
What is the SMILES notation for 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one?
The canonical SMILES for 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one is CCCCCC(=O)N1CCN(Cc2c(-c3cccc(OC)c3)nc3scc(C)n23)CC1.
What is the InChIKey of 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one?
The InChIKey is QLSWMZWXIPFTOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-4-5-6-10-22(29)27-13-11-26(12-14-27)16-21-23(19-8-7-9-20(15-19)30-3)25-24-28(21)18(2)17-31-24/h7-9,15,17H,4-6,10-14,16H2,1-3H3.
What are the key properties of 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one?
1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one has a molecular weight of 440.61 g/mol, XLogP of 4.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(3-methoxyphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-yl]methyl]piperazin-1-yl]hexan-1-one is sourced from PubChem (CID 42803276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).