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

C14H26N4S — CID 62764111

IUPAC[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C14H26N4S/c1-5-17-6-8-18(9-7-17)13-16-12(14(2,3)4)11(10-15)19-13/h5-10,15H2,1-4H3
InChIKeyHEJHRLPQSPVJCB-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.04
Rot. Bonds3

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

[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (PubChem CID 62764111) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
PubChem CID62764111
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
SMILESCCN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1
InChIInChI=1S/C14H26N4S/c1-5-17-6-8-18(9-7-17)13-16-12(14(2,3)4)11(10-15)19-13/h5-10,15H2,1-4H3
InChIKeyHEJHRLPQSPVJCB-UHFFFAOYSA-N
XLogP2.04
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-tert-butyl-2-(4,4-diethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63161163
[4-tert-butyl-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62767415
1-[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82439728
[4-tert-butyl-2-(4-methoxypiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117839
[4-tert-butyl-2-(4-methylazepan-1-yl)-1,3-thiazol-5-yl]methanamine
CID 63627381
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766342
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
2-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]propan-2-ol
CID 82427967
[4-tert-butyl-2-(2,4-dimethylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 55117512
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62777571

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine (CID 62764111) is [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is CCN1CCN(c2nc(C(C)(C)C)c(CN)s2)CC1.
What is the InChIKey of [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is HEJHRLPQSPVJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-17-6-8-18(9-7-17)13-16-12(14(2,3)4)11(10-15)19-13/h5-10,15H2,1-4H3.
What are the key properties of [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine?
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 282.46 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 62764111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).