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

C22H24N4O2S2 — CID 30487001

IUPACN-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-16(27)17-4-6-18(7-5-17)23-21(28)13-25-8-10-26(11-9-25)14-22-24-19(15-30-22)20-3-2-12-29-20/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)
InChIKeyTUOMFWICUDJFBW-UHFFFAOYSA-N
MW440.59 g/mol
LogP3.83
Rot. Bonds7

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

N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (PubChem CID 30487001) has the molecular formula C22H24N4O2S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
PubChem CID30487001
Molecular FormulaC22H24N4O2S2
Molecular Weight440.59 g/mol
Exact Mass440.13
IUPAC NameN-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
SMILESCC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1
InChIInChI=1S/C22H24N4O2S2/c1-16(27)17-4-6-18(7-5-17)23-21(28)13-25-8-10-26(11-9-25)14-22-24-19(15-30-22)20-3-2-12-29-20/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28)
InChIKeyTUOMFWICUDJFBW-UHFFFAOYSA-N
XLogP3.83
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide (CID 30487001) is N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is CC(=O)c1ccc(NC(=O)CN2CCN(Cc3nc(-c4cccs4)cs3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
The InChIKey is TUOMFWICUDJFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2S2/c1-16(27)17-4-6-18(7-5-17)23-21(28)13-25-8-10-26(11-9-25)14-22-24-19(15-30-22)20-3-2-12-29-20/h2-7,12,15H,8-11,13-14H2,1H3,(H,23,28).
What are the key properties of N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide?
N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide has a molecular weight of 440.59 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-[4-[(4-thiophen-2-yl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 30487001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).