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

C18H21N5O2S — CID 90643652

IUPAC2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H21N5O2S/c19-13-15-1-3-16(4-2-15)25-11-10-22-6-8-23(9-7-22)14-17(24)21-18-20-5-12-26-18/h1-5,12H,6-11,14H2,(H,20,21,24)
InChIKeyXZFMHRYHYJOGKB-UHFFFAOYSA-N
MW371.47 g/mol
LogP1.65
Rot. Bonds7

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

2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 90643652) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID90643652
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESN#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1
InChIInChI=1S/C18H21N5O2S/c19-13-15-1-3-16(4-2-15)25-11-10-22-6-8-23(9-7-22)14-17(24)21-18-20-5-12-26-18/h1-5,12H,6-11,14H2,(H,20,21,24)
InChIKeyXZFMHRYHYJOGKB-UHFFFAOYSA-N
XLogP1.65
TPSA81.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5Z)-5-[[4-[2-[methyl(1,3-thiazol-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 10044126
1-[2-[[(2S)-3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-(1,3-thiazol-2-yl)urea
CID 70691508
2-(3-methylphenoxy)-N-(1,3-thiazol-2-yl)propanamide
CID 2977276
N-(Thiazol-2-yl)-2-(4-(2-(4-methoxyphenoxy)ethyl)piperazin-1-yl)acetamide
CID 18134053
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 55483031
2-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643645
2-[4-[2-(2-methylphenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 90643646
N-(1,3-thiazol-2-yl)-2-[4-[2-[4-(trifluoromethoxy)phenoxy]ethyl]piperazin-1-yl]acetamide
CID 90643651
N-[(4-Methoxy-benzylcarbamoyl)-methyl]-N-(2-methoxy-ethyl)-N'-thiazol-2-yl-succinamide
CID 644600
4-(4-methylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1564857
4-(4-ethylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 1564940
2-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 18134055

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 90643652) is 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is N#Cc1ccc(OCCN2CCN(CC(=O)Nc3nccs3)CC2)cc1.
What is the InChIKey of 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is XZFMHRYHYJOGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c19-13-15-1-3-16(4-2-15)25-11-10-22-6-8-23(9-7-22)14-17(24)21-18-20-5-12-26-18/h1-5,12H,6-11,14H2,(H,20,21,24).
What are the key properties of 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 371.47 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-cyanophenoxy)ethyl]piperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 90643652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).