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

C11H20N4S — CID 62751339

IUPAC1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCN(C)CC2)sc1C(C)N
InChIInChI=1S/C11H20N4S/c1-8(12)10-9(2)13-11(16-10)15-6-4-14(3)5-7-15/h8H,4-7,12H2,1-3H3
InChIKeyNZMXXTOTWRFATG-UHFFFAOYSA-N
MW240.38 g/mol
LogP1.22
Rot. Bonds2

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

1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 62751339) has the molecular formula C11H20N4S and a molecular weight of 240.38 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
PubChem CID62751339
Molecular FormulaC11H20N4S
Molecular Weight240.38 g/mol
Exact Mass240.14
IUPAC Name1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
SMILESCc1nc(N2CCN(C)CC2)sc1C(C)N
InChIInChI=1S/C11H20N4S/c1-8(12)10-9(2)13-11(16-10)15-6-4-14(3)5-7-15/h8H,4-7,12H2,1-3H3
InChIKeyNZMXXTOTWRFATG-UHFFFAOYSA-N
XLogP1.22
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.38
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine (CID 62751339) is 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is Cc1nc(N2CCN(C)CC2)sc1C(C)N.
What is the InChIKey of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is NZMXXTOTWRFATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4S/c1-8(12)10-9(2)13-11(16-10)15-6-4-14(3)5-7-15/h8H,4-7,12H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine?
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 240.38 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 62751339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).