1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

C15H28N4S — CID 82439728

IUPAC1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCN(c2nc(C(C)(C)C)c(C(C)N)s2)CC1
InChIInChI=1S/C15H28N4S/c1-6-18-7-9-19(10-8-18)14-17-13(15(3,4)5)12(20-14)11(2)16/h11H,6-10,16H2,1-5H3
InChIKeyJXPUKYLWGKWFPD-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.60
Rot. Bonds3

About 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine

1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82439728) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82439728
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCCN1CCN(c2nc(C(C)(C)C)c(C(C)N)s2)CC1
InChIInChI=1S/C15H28N4S/c1-6-18-7-9-19(10-8-18)14-17-13(15(3,4)5)12(20-14)11(2)16/h11H,6-10,16H2,1-5H3
InChIKeyJXPUKYLWGKWFPD-UHFFFAOYSA-N
XLogP2.60
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82431056
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 55113434
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62766344
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
1-[4-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]ethanamine
CID 82437884
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62767415
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342

Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 82439728) is 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is CCN1CCN(c2nc(C(C)(C)C)c(C(C)N)s2)CC1.
What is the InChIKey of 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is JXPUKYLWGKWFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-6-18-7-9-19(10-8-18)14-17-13(15(3,4)5)12(20-14)11(2)16/h11H,6-10,16H2,1-5H3.
What are the key properties of 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82439728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).