2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C18H24N4O2S — CID 90643646

IUPAC2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-15-4-2-3-5-16(15)24-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-25-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)
InChIKeyLEXKBMHKJKGXMI-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.09
Rot. Bonds7

About 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90643646) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90643646
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1
InChIInChI=1S/C18H24N4O2S/c1-15-4-2-3-5-16(15)24-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-25-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23)
InChIKeyLEXKBMHKJKGXMI-UHFFFAOYSA-N
XLogP2.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90643646) is 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccccc1OCCN1CCN(CC(=O)Nc2nccs2)CC1.
What is the InChIKey of 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LEXKBMHKJKGXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-15-4-2-3-5-16(15)24-12-11-21-7-9-22(10-8-21)14-17(23)20-18-19-6-13-25-18/h2-6,13H,7-12,14H2,1H3,(H,19,20,23).
What are the key properties of 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 360.48 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90643646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).