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

C11H17N3OS — CID 9111631

IUPAC1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C11H17N3OS/c1-8-10(9(2)15)16-11(12-8)14-6-4-13(3)5-7-14/h4-7H2,1-3H3
InChIKeyLMNATHWBVMREBU-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.41
Rot. Bonds2

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

1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 9111631) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID9111631
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1sc(N2CCN(C)CC2)nc1C
InChIInChI=1S/C11H17N3OS/c1-8-10(9(2)15)16-11(12-8)14-6-4-13(3)5-7-14/h4-7H2,1-3H3
InChIKeyLMNATHWBVMREBU-UHFFFAOYSA-N
XLogP1.41
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.41
H-Bond Donors ≤ 50
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]ethanone?
The IUPAC name of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone (CID 9111631) is 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1sc(N2CCN(C)CC2)nc1C.
What is the InChIKey of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is LMNATHWBVMREBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8-10(9(2)15)16-11(12-8)14-6-4-13(3)5-7-14/h4-7H2,1-3H3.
What are the key properties of 1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone?
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.41, 2 rotatable bonds, 0 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]ethanone is sourced from PubChem (CID 9111631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).