2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

C16H22N4OS2 — CID 46955467

IUPAC2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCN1CCN(CC(=O)NC(Cc2cccs2)c2nccs2)CC1
InChIInChI=1S/C16H22N4OS2/c1-19-5-7-20(8-6-19)12-15(21)18-14(16-17-4-10-23-16)11-13-3-2-9-22-13/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,18,21)
InChIKeyXVTXVGYJAJJFKR-UHFFFAOYSA-N
MW350.51 g/mol
LogP1.85
Rot. Bonds6

About 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide

2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (PubChem CID 46955467) has the molecular formula C16H22N4OS2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
PubChem CID46955467
Molecular FormulaC16H22N4OS2
Molecular Weight350.51 g/mol
Exact Mass350.12
IUPAC Name2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide
SMILESCN1CCN(CC(=O)NC(Cc2cccs2)c2nccs2)CC1
InChIInChI=1S/C16H22N4OS2/c1-19-5-7-20(8-6-19)12-15(21)18-14(16-17-4-10-23-16)11-13-3-2-9-22-13/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,18,21)
InChIKeyXVTXVGYJAJJFKR-UHFFFAOYSA-N
XLogP1.85
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide (CID 46955467) is 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is CN1CCN(CC(=O)NC(Cc2cccs2)c2nccs2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
The InChIKey is XVTXVGYJAJJFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS2/c1-19-5-7-20(8-6-19)12-15(21)18-14(16-17-4-10-23-16)11-13-3-2-9-22-13/h2-4,9-10,14H,5-8,11-12H2,1H3,(H,18,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide?
2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-N-[1-(1,3-thiazol-2-yl)-2-thiophen-2-ylethyl]acetamide is sourced from PubChem (CID 46955467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).