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

C15H27N3S — CID 64936501

IUPAC2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC(C)C1CN(C(C)c2nccs2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-5-11(3)14-10-18(13(6-2)9-17-14)12(4)15-16-7-8-19-15/h7-8,11-14,17H,5-6,9-10H2,1-4H3
InChIKeyZMXNHDVZJPPMRI-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.30
Rot. Bonds5

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

2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (PubChem CID 64936501) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
PubChem CID64936501
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
SMILESCCC(C)C1CN(C(C)c2nccs2)C(CC)CN1
InChIInChI=1S/C15H27N3S/c1-5-11(3)14-10-18(13(6-2)9-17-14)12(4)15-16-7-8-19-15/h7-8,11-14,17H,5-6,9-10H2,1-4H3
InChIKeyZMXNHDVZJPPMRI-UHFFFAOYSA-N
XLogP3.30
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(5-butan-2-yl-2-propan-2-ylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64936499
2-[1-(2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64932333
5-butan-2-yl-2-ethyl-1-hexan-2-ylpiperazine
CID 64936824
5-butan-2-yl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64939246
5-butan-2-yl-2-ethyl-1-[1-(5-methylthiophen-2-yl)propan-2-yl]piperazine
CID 64936876
2-[1-(5-tert-butyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64939349
5-butan-2-yl-2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64936870
5-butan-2-yl-2-ethyl-1-thiophen-3-ylpiperazine
CID 66354786
2-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-1,3-thiazole
CID 66211376
5-butan-2-yl-2-methyl-1-(5-methylhexan-2-yl)piperazine
CID 64938208
5-butan-2-yl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64939080
2-[1-(2-methyl-5-phenylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64941668

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The IUPAC name of 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole (CID 64936501) is 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole.
What is the SMILES notation for 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The canonical SMILES for 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is CCC(C)C1CN(C(C)c2nccs2)C(CC)CN1.
What is the InChIKey of 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
The InChIKey is ZMXNHDVZJPPMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-11(3)14-10-18(13(6-2)9-17-14)12(4)15-16-7-8-19-15/h7-8,11-14,17H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole?
2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole has a molecular weight of 281.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-butan-2-yl-2-ethylpiperazin-1-yl)ethyl]-1,3-thiazole is sourced from PubChem (CID 64936501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).