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

C11H20N4S — CID 82129972

IUPAC2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCN(C)CC2)sc1CCN
InChIInChI=1S/C11H20N4S/c1-9-10(3-4-12)16-11(13-9)15-7-5-14(2)6-8-15/h3-8,12H2,1-2H3
InChIKeyRYLMSFJOZRZCHO-UHFFFAOYSA-N
MW240.38 g/mol
LogP0.70
Rot. Bonds3

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

2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 82129972) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID82129972
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCN(C)CC2)sc1CCN
InChIInChI=1S/C11H20N4S/c1-9-10(3-4-12)16-11(13-9)15-7-5-14(2)6-8-15/h3-8,12H2,1-2H3
InChIKeyRYLMSFJOZRZCHO-UHFFFAOYSA-N
XLogP0.70
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 46785718
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339
[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[2-(4,4-dimethylpiperidin-1-yl)-4-methyl-1,3-thiazol-5-yl]methanamine
CID 62930158
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]propan-2-ol
CID 82427948
5-(bromomethyl)-4-methyl-2-pyrrolidin-1-yl-1,3-thiazole
CID 82427860
N-methyl-1-[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 79395878
2-[5-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]ethanol
CID 10681584
3-[4-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]propan-1-amine
CID 116884746
[4-tert-butyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methanol
CID 62779308
2-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 79381520

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 82129972) is 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(N2CCN(C)CC2)sc1CCN.
What is the InChIKey of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is RYLMSFJOZRZCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-9-10(3-4-12)16-11(13-9)15-7-5-14(2)6-8-15/h3-8,12H2,1-2H3.
What are the key properties of 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 82129972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).