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

C11H17N3OS — CID 79666290

IUPAC1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CN(C)CCN2C)s1
InChIInChI=1S/C11H17N3OS/c1-8(15)10-6-12-11(16-10)9-7-13(2)4-5-14(9)3/h6,9H,4-5,7H2,1-3H3
InChIKeyOQMKSUSBNUXHBB-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.26
Rot. Bonds2

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

1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone (PubChem CID 79666290) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone
PubChem CID79666290
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone
SMILESCC(=O)c1cnc(C2CN(C)CCN2C)s1
InChIInChI=1S/C11H17N3OS/c1-8(15)10-6-12-11(16-10)9-7-13(2)4-5-14(9)3/h6,9H,4-5,7H2,1-3H3
InChIKeyOQMKSUSBNUXHBB-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone?
The IUPAC name of 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone (CID 79666290) is 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone?
The canonical SMILES for 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone is CC(=O)c1cnc(C2CN(C)CCN2C)s1.
What is the InChIKey of 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone?
The InChIKey is OQMKSUSBNUXHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-8(15)10-6-12-11(16-10)9-7-13(2)4-5-14(9)3/h6,9H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone?
1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone has a molecular weight of 239.34 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,4-dimethylpiperazin-2-yl)-1,3-thiazol-5-yl]ethanone is sourced from PubChem (CID 79666290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).