N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide

C27H34N4O3S — CID 33075282

IUPACN-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1OC
InChIInChI=1S/C27H34N4O3S/c1-5-34-23-10-9-21(15-24(23)33-4)27-28-22(18-35-27)16-30-11-13-31(14-12-30)17-25(32)29-26-19(2)7-6-8-20(26)3/h6-10,15,18H,5,11-14,16-17H2,1-4H3,(H,29,32)
InChIKeyWJKLMKXKWHUEQM-UHFFFAOYSA-N
MW494.66 g/mol
LogP4.59
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 33075282) has the molecular formula C27H34N4O3S and a molecular weight of 494.66 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
PubChem CID33075282
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1OC
InChIInChI=1S/C27H34N4O3S/c1-5-34-23-10-9-21(15-24(23)33-4)27-28-22(18-35-27)16-30-11-13-31(14-12-30)17-25(32)29-26-19(2)7-6-8-20(26)3/h6-10,15,18H,5,11-14,16-17H2,1-4H3,(H,29,32)
InChIKeyWJKLMKXKWHUEQM-UHFFFAOYSA-N
XLogP4.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]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

2-(4-ethoxy-3-methoxyphenyl)-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-thiazole
CID 31872902
2-[[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methyl]-1,3-benzothiazole
CID 30725962
N-[2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 34610515
2-(3,4-dimethoxyphenyl)-4-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazole
CID 18707228
[1-[[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-4-yl]-phenylmethanone
CID 16605901
2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 55450669
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-ethoxy-3-methoxybenzohydrazide
CID 55454356
2-[2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazol-4-yl]acetic acid
CID 20985054
(3,4-dimethoxyphenyl)-[4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 55543399
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-methyl-6-nitrobenzoate
CID 43035896
[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 30043651
N-(2,6-dimethylphenyl)-2-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]acetamide
CID 27850735

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide (CID 33075282) is N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide is CCOc1ccc(-c2nc(CN3CCN(CC(=O)Nc4c(C)cccc4C)CC3)cs2)cc1OC.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is WJKLMKXKWHUEQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-5-34-23-10-9-21(15-24(23)33-4)27-28-22(18-35-27)16-30-11-13-31(14-12-30)17-25(32)29-26-19(2)7-6-8-20(26)3/h6-10,15,18H,5,11-14,16-17H2,1-4H3,(H,29,32).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 494.66 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 33075282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).