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

C18H24N4O2S — CID 90643645

IUPAC2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-15-2-4-16(5-3-15)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)
InChIKeyLERAKYYMBKOVHZ-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.09
Rot. Bonds7

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

2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90643645) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90643645
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H24N4O2S/c1-15-2-4-16(5-3-15)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)
InChIKeyLERAKYYMBKOVHZ-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

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Related Compounds

2-(4-methoxyphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 721272
2-phenoxy-N-(1,3-thiazol-2-yl)acetamide
CID 2787061
2-(2,3-dimethylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 888214
2-naphthalen-2-yloxy-N-(1,3-thiazol-2-yl)acetamide
CID 910281
2-(4-ethoxyphenyl)-N-(1,3-thiazol-2-yl)acetamide
CID 2514833
2-(2,5-dimethylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 4944777
5-{3-Ethoxy-4-[2-(4-morpholinyl)ethoxy]benzylidene}-2-imino-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
CID 5291668
(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
US10913733, Example 42
CID 137361278
2-(4-ethoxyphenoxy)-N-1,3-thiazol-2-ylacetamide
CID 732622
N-(4-Methoxy-benzyl)-N-[(4-methoxy-benzylcarbamoyl)-methyl]-N'-thiazol-2-yl-succinamide
CID 3205335
1-(2-(4-(2-(Trifluoromethyl)phenoxy)piperidin-1-yl)thiazol-5-yl)urea
CID 46880802

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90643645) is 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is LERAKYYMBKOVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-15-2-4-16(5-3-15)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-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(4-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-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90643645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).