6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

C16H26N4S — CID 115334914

IUPAC6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1CNC(CC)(CC)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H26N4S/c1-4-14-9-17-16(5-2,6-3)12-20(14)11-13-10-19-7-8-21-15(19)18-13/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyAPBZKIUZXBWCCP-UHFFFAOYSA-N
MW306.48 g/mol
LogP3.14
Rot. Bonds5

About 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole

6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (PubChem CID 115334914) has the molecular formula C16H26N4S and a molecular weight of 306.48 g/mol. Its IUPAC name is 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
PubChem CID115334914
Molecular FormulaC16H26N4S
Molecular Weight306.48 g/mol
Exact Mass306.19
IUPAC Name6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
SMILESCCC1CNC(CC)(CC)CN1Cc1cn2ccsc2n1
InChIInChI=1S/C16H26N4S/c1-4-14-9-17-16(5-2,6-3)12-20(14)11-13-10-19-7-8-21-15(19)18-13/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3
InChIKeyAPBZKIUZXBWCCP-UHFFFAOYSA-N
XLogP3.14
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.48
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2,5-diethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115332588
6-[(2-ethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113288915
2,5,5-triethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 64947930
6-[(3-cyclopropyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334943
6-[(3-ethyl-3-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334823
6-[(5-cyclopropyl-2-propylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334918
6-[(2-tert-butylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334835
6-[(7-methyl-1,4-diazepan-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 113289439
6-ethyl-1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-6-methylpiperazine-2,5-dione
CID 115334976
6-[(3-ethylazetidin-3-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115335298
6-[(5-cyclopropyl-2-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole
CID 115334922
(2S)-1-[(2S)-2-ethyl-4-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperazin-1-yl]propan-2-ol
CID 98767333

Frequently Asked Questions

What is the IUPAC name of 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole (CID 115334914) is 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is CCC1CNC(CC)(CC)CN1Cc1cn2ccsc2n1.
What is the InChIKey of 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
The InChIKey is APBZKIUZXBWCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4S/c1-4-14-9-17-16(5-2,6-3)12-20(14)11-13-10-19-7-8-21-15(19)18-13/h7-8,10,14,17H,4-6,9,11-12H2,1-3H3.
What are the key properties of 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole?
6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole has a molecular weight of 306.48 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5,5-triethylpiperazin-1-yl)methyl]imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 115334914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).