N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide

C24H28N4O2S — CID 30869021

IUPACN-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C24H28N4O2S/c1-2-30-22-11-7-6-10-20(22)25-23(29)16-27-12-14-28(15-13-27)17-24-26-21(18-31-24)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3,(H,25,29)
InChIKeyFYUGMOMYJUDIRE-UHFFFAOYSA-N
MW436.58 g/mol
LogP3.97
Rot. Bonds8

About N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide

N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30869021) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30869021
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC NameN-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C24H28N4O2S/c1-2-30-22-11-7-6-10-20(22)25-23(29)16-27-12-14-28(15-13-27)17-24-26-21(18-31-24)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3,(H,25,29)
InChIKeyFYUGMOMYJUDIRE-UHFFFAOYSA-N
XLogP3.97
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 30869021) is N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is CCOc1ccccc1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is FYUGMOMYJUDIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-2-30-22-11-7-6-10-20(22)25-23(29)16-27-12-14-28(15-13-27)17-24-26-21(18-31-24)19-8-4-3-5-9-19/h3-11,18H,2,12-17H2,1H3,(H,25,29).
What are the key properties of N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 436.58 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-[4-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30869021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).