N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide

C27H34N4O3S — CID 69363510

IUPACN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1-c1ncc(OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)s1
InChIInChI=1S/C27H34N4O3S/c1-19-7-4-5-10-23(19)27-28-15-25(35-27)34-18-22(32)16-30-11-13-31(14-12-30)17-24(33)29-26-20(2)8-6-9-21(26)3/h4-10,15,22,32H,11-14,16-18H2,1-3H3,(H,29,33)
InChIKeyJONFQRYCQXKUPF-UHFFFAOYSA-N
MW494.66 g/mol
LogP3.73
Rot. Bonds9

About N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide (PubChem CID 69363510) 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-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
PubChem CID69363510
Molecular FormulaC27H34N4O3S
Molecular Weight494.66 g/mol
Exact Mass494.24
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide
SMILESCc1ccccc1-c1ncc(OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)s1
InChIInChI=1S/C27H34N4O3S/c1-19-7-4-5-10-23(19)27-28-15-25(35-27)34-18-22(32)16-30-11-13-31(14-12-30)17-24(33)29-26-20(2)8-6-9-21(26)3/h4-10,15,22,32H,11-14,16-18H2,1-3H3,(H,29,33)
InChIKeyJONFQRYCQXKUPF-UHFFFAOYSA-N
XLogP3.73
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.66
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[3-(1,3-benzothiazol-2-yloxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 12073485
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[2-(trideuteriomethoxy)phenoxy]propyl]piperazin-1-yl]acetamide
CID 25160824
2-[4-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 39951217
2,3-dihydroxybutanedioic acid;N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 45280732
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(2,3,4,5-tetradeuterio-6-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 25227266
N-(2,6-dimethylphenyl)-2-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]acetamide
CID 45281353
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-4-(2-methylphenyl)butyl]piperazin-1-yl]acetamide
CID 142082035
N-(2,6-dimethoxyphenyl)-2-[4-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]piperazin-1-yl]acetamide
CID 169439062
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[(2-methoxyphenyl)methoxy]propyl]piperazin-1-yl]acetamide;molecular hydrogen
CID 162137892
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-(4-methoxyphenyl)propyl]piperazin-1-yl]acetamide
CID 12052935
N-(2,6-dimethylphenyl)-2-[4-[4-(2-fluorophenyl)-2-hydroxybutyl]piperazin-1-yl]acetamide
CID 10223491
N-(2,6-dimethylphenyl)-2-[4-[3-(2-methoxyphenoxy)-2-methylpropyl]piperazin-1-yl]acetamide
CID 71044231

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide (CID 69363510) is N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide is Cc1ccccc1-c1ncc(OCC(O)CN2CCN(CC(=O)Nc3c(C)cccc3C)CC2)s1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide?
The InChIKey is JONFQRYCQXKUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O3S/c1-19-7-4-5-10-23(19)27-28-15-25(35-27)34-18-22(32)16-30-11-13-31(14-12-30)17-24(33)29-26-20(2)8-6-9-21(26)3/h4-10,15,22,32H,11-14,16-18H2,1-3H3,(H,29,33).
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide has a molecular weight of 494.66 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-[2-hydroxy-3-[[2-(2-methylphenyl)-1,3-thiazol-5-yl]oxy]propyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 69363510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).