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

C27H32N4O3S — CID 39442666

IUPACN-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C27H32N4O3S/c1-3-21-6-4-5-7-24(21)29-25(32)17-30-12-14-31(15-13-30)27(33)16-22-19-35-26(28-22)18-34-23-10-8-20(2)9-11-23/h4-11,19H,3,12-18H2,1-2H3,(H,29,32)
InChIKeyNJOQHPQTMGQNTG-UHFFFAOYSA-N
MW492.65 g/mol
LogP3.92
Rot. Bonds9

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

N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (PubChem CID 39442666) has the molecular formula C27H32N4O3S and a molecular weight of 492.65 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
PubChem CID39442666
Molecular FormulaC27H32N4O3S
Molecular Weight492.65 g/mol
Exact Mass492.22
IUPAC NameN-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1
InChIInChI=1S/C27H32N4O3S/c1-3-21-6-4-5-7-24(21)29-25(32)17-30-12-14-31(15-13-30)27(33)16-22-19-35-26(28-22)18-34-23-10-8-20(2)9-11-23/h4-11,19H,3,12-18H2,1-2H3,(H,29,32)
InChIKeyNJOQHPQTMGQNTG-UHFFFAOYSA-N
XLogP3.92
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.65
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-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

Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
1-[4-(2,2-dimethylpropyl)piperazin-1-yl]-2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]ethanone
CID 110313616
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 50753541
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-1-(1,3-oxazolidin-3-yl)ethanone
CID 126816930
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-phenylacetamide
CID 17395247
2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 31645035
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31612187
[2-(2-ethoxyanilino)-2-oxoethyl] 2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetate
CID 26989106
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperazin-1-yl]acetamide
CID 86931722
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 50753784

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide (CID 39442666) is N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)Cc2csc(COc3ccc(C)cc3)n2)CC1.
What is the InChIKey of N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
The InChIKey is NJOQHPQTMGQNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3S/c1-3-21-6-4-5-7-24(21)29-25(32)17-30-12-14-31(15-13-30)27(33)16-22-19-35-26(28-22)18-34-23-10-8-20(2)9-11-23/h4-11,19H,3,12-18H2,1-2H3,(H,29,32).
What are the key properties of N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide?
N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide has a molecular weight of 492.65 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 39442666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).