N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

C22H22ClN5O2S — CID 27860643

IUPACN-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H22ClN5O2S/c23-17-5-1-2-6-18(17)26-20(29)14-27-9-11-28(12-10-27)21(30)13-16-15-31-22(25-16)19-7-3-4-8-24-19/h1-8,15H,9-14H2,(H,26,29)
InChIKeyZZFTYUKNBNSALO-UHFFFAOYSA-N
MW455.97 g/mol
LogP3.18
Rot. Bonds6

About N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide

N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 27860643) has the molecular formula C22H22ClN5O2S and a molecular weight of 455.97 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID27860643
Molecular FormulaC22H22ClN5O2S
Molecular Weight455.97 g/mol
Exact Mass455.12
IUPAC NameN-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide
SMILESO=C(CN1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1)Nc1ccccc1Cl
InChIInChI=1S/C22H22ClN5O2S/c23-17-5-1-2-6-18(17)26-20(29)14-27-9-11-28(12-10-27)21(30)13-16-15-31-22(25-16)19-7-3-4-8-24-19/h1-8,15H,9-14H2,(H,26,29)
InChIKeyZZFTYUKNBNSALO-UHFFFAOYSA-N
XLogP3.18
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.97
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
1-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 51269760
N-(2-chlorophenyl)-2-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 9020660
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 39820857
2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 17498493
N-(2-ethylphenyl)-2-[4-[2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]acetyl]piperazin-1-yl]acetamide
CID 39442666
1-[4-(3-methylphenyl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 27049046
N-[2-(2,3-dihydroindol-1-yl)phenyl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 38749299
1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 56537169
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833689
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833649
N-(3-chloro-4-methylphenyl)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetamide
CID 30424894

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide (CID 27860643) is N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is O=C(CN1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is ZZFTYUKNBNSALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O2S/c23-17-5-1-2-6-18(17)26-20(29)14-27-9-11-28(12-10-27)21(30)13-16-15-31-22(25-16)19-7-3-4-8-24-19/h1-8,15H,9-14H2,(H,26,29).
What are the key properties of N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide?
N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 455.97 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-[2-(2-pyridin-2-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 27860643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).