N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

C14H26N4S — CID 55113434

IUPACN-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-15-11(3)13-12(4)16-14(19-13)18-9-7-17(6-2)8-10-18/h11,15H,5-10H2,1-4H3
InChIKeyIFEXUFWXEAFNFX-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.26
Rot. Bonds5

About N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine

N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (PubChem CID 55113434) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
PubChem CID55113434
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
SMILESCCNC(C)c1sc(N2CCN(CC)CC2)nc1C
InChIInChI=1S/C14H26N4S/c1-5-15-11(3)13-12(4)16-14(19-13)18-9-7-17(6-2)8-10-18/h11,15H,5-10H2,1-4H3
InChIKeyIFEXUFWXEAFNFX-UHFFFAOYSA-N
XLogP2.26
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine (CID 55113434) is N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is CCNC(C)c1sc(N2CCN(CC)CC2)nc1C.
What is the InChIKey of N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
The InChIKey is IFEXUFWXEAFNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-5-15-11(3)13-12(4)16-14(19-13)18-9-7-17(6-2)8-10-18/h11,15H,5-10H2,1-4H3.
What are the key properties of N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine?
N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine has a molecular weight of 282.46 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[2-(4-ethylpiperazin-1-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 55113434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).