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

C11H17N3OS — CID 79824120

IUPAC1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2nccs2)C1
InChIInChI=1S/C11H17N3OS/c1-13-4-5-14(2)9(8-13)10(15)7-11-12-3-6-16-11/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyDCMFWIMLOSXLQK-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.50
Rot. Bonds3

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

1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone (PubChem CID 79824120) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
PubChem CID79824120
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone
SMILESCN1CCN(C)C(C(=O)Cc2nccs2)C1
InChIInChI=1S/C11H17N3OS/c1-13-4-5-14(2)9(8-13)10(15)7-11-12-3-6-16-11/h3,6,9H,4-5,7-8H2,1-2H3
InChIKeyDCMFWIMLOSXLQK-UHFFFAOYSA-N
XLogP0.50
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone (CID 79824120) is 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone is CN1CCN(C)C(C(=O)Cc2nccs2)C1.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
The InChIKey is DCMFWIMLOSXLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-13-4-5-14(2)9(8-13)10(15)7-11-12-3-6-16-11/h3,6,9H,4-5,7-8H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone?
1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone has a molecular weight of 239.34 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-2-(1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 79824120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).