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

C15H28N4S — CID 62766342

IUPACN-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCN(C)CC2)nc1C(C)(C)C
InChIInChI=1S/C15H28N4S/c1-6-16-11-12-13(15(2,3)4)17-14(20-12)19-9-7-18(5)8-10-19/h16H,6-11H2,1-5H3
InChIKeyLJSUMKXIQDBWSZ-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.30
Rot. Bonds4

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

N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (PubChem CID 62766342) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
PubChem CID62766342
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
SMILESCCNCc1sc(N2CCN(C)CC2)nc1C(C)(C)C
InChIInChI=1S/C15H28N4S/c1-6-16-11-12-13(15(2,3)4)17-14(20-12)19-9-7-18(5)8-10-19/h16H,6-11H2,1-5H3
InChIKeyLJSUMKXIQDBWSZ-UHFFFAOYSA-N
XLogP2.30
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[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]propan-2-amine
CID 62766344
[4-tert-butyl-2-(4-tert-butylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778341
N-[[4-methyl-2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 62766055
[4-tert-butyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764111
[4-tert-butyl-2-(4-tert-butylpiperidin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62778656
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
N-[[4-tert-butyl-2-(2-methylmorpholin-4-yl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 62765352
N-[[2-(azepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 55112709
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381520
N-[[4-tert-butyl-2-(1,4-thiazepan-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62769320

Frequently Asked Questions

What is the IUPAC name of N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine (CID 62766342) is N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is CCNCc1sc(N2CCN(C)CC2)nc1C(C)(C)C.
What is the InChIKey of N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
The InChIKey is LJSUMKXIQDBWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-6-16-11-12-13(15(2,3)4)17-14(20-12)19-9-7-18(5)8-10-19/h16H,6-11H2,1-5H3.
What are the key properties of N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine?
N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine has a molecular weight of 296.48 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62766342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).