2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole

C15H27N3S — CID 64940800

IUPAC2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CNC(C(C)(C)C)CN1CCc1nccs1
InChIInChI=1S/C15H27N3S/c1-5-12-10-17-13(15(2,3)4)11-18(12)8-6-14-16-7-9-19-14/h7,9,12-13,17H,5-6,8,10-11H2,1-4H3
InChIKeyVOHNBJMVGIMOCS-UHFFFAOYSA-N
MW281.47 g/mol
LogP2.78
Rot. Bonds4

About 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole

2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64940800) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64940800
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC1CNC(C(C)(C)C)CN1CCc1nccs1
InChIInChI=1S/C15H27N3S/c1-5-12-10-17-13(15(2,3)4)11-18(12)8-6-14-16-7-9-19-14/h7,9,12-13,17H,5-6,8,10-11H2,1-4H3
InChIKeyVOHNBJMVGIMOCS-UHFFFAOYSA-N
XLogP2.78
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64941766
2-[(2,5-diethylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64946674
5-tert-butyl-2-ethyl-1-(pyridin-2-ylmethyl)piperazine
CID 64842793
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
2-[2-(5-tert-butyl-2-propan-2-ylpiperazin-1-yl)ethyl]-4-methyl-1,3-thiazole
CID 64940221
5-tert-butyl-2-ethyl-1-[(4-methyl-3-pyridinyl)methyl]piperazine
CID 114957732
5-tert-butyl-2-ethyl-1-[2-(3-methylbutoxy)ethyl]piperazine
CID 64841627
2-[(5-cyclopropyl-2-ethyl-5-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 64948017
5-tert-butyl-2-propyl-1-(2-pyrazol-1-ylethyl)piperazine
CID 64841244
5-tert-butyl-1-(cyclohex-3-en-1-ylmethyl)-2-ethylpiperazine
CID 64946001
5-tert-butyl-1-[(3,4-dimethylphenyl)methyl]-2-ethylpiperazine
CID 64842595

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64940800) is 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is CCC1CNC(C(C)(C)C)CN1CCc1nccs1.
What is the InChIKey of 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is VOHNBJMVGIMOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-12-10-17-13(15(2,3)4)11-18(12)8-6-14-16-7-9-19-14/h7,9,12-13,17H,5-6,8,10-11H2,1-4H3.
What are the key properties of 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-tert-butyl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64940800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).