2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C12H20N4OS — CID 1439216

IUPAC2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C12H20N4OS/c1-3-15-4-6-16(7-5-15)9-11(17)14-12-13-8-10(2)18-12/h8H,3-7,9H2,1-2H3,(H,13,14,17)
InChIKeyXOZZWSLSEXZAGL-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 1439216) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID1439216
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C12H20N4OS/c1-3-15-4-6-16(7-5-15)9-11(17)14-12-13-8-10(2)18-12/h8H,3-7,9H2,1-2H3,(H,13,14,17)
InChIKeyXOZZWSLSEXZAGL-UHFFFAOYSA-N
XLogP1.03
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 1439216) is 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is CCN1CCN(CC(=O)Nc2ncc(C)s2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is XOZZWSLSEXZAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-3-15-4-6-16(7-5-15)9-11(17)14-12-13-8-10(2)18-12/h8H,3-7,9H2,1-2H3,(H,13,14,17).
What are the key properties of 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1439216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).