N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide

C22H27N5O2S — CID 17432177

IUPACN-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1csc(CC(=O)N2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C22H27N5O2S/c1-16-15-30-21(25-16)12-22(29)27-10-8-26(9-11-27)14-20(28)23-7-6-17-13-24-19-5-3-2-4-18(17)19/h2-5,13,15,24H,6-12,14H2,1H3,(H,23,28)
InChIKeyWJKWXAKILFPRSR-UHFFFAOYSA-N
MW425.56 g/mol
LogP1.98
Rot. Bonds7

About N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide

N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide (PubChem CID 17432177) has the molecular formula C22H27N5O2S and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide
PubChem CID17432177
Molecular FormulaC22H27N5O2S
Molecular Weight425.56 g/mol
Exact Mass425.19
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide
SMILESCc1csc(CC(=O)N2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)n1
InChIInChI=1S/C22H27N5O2S/c1-16-15-30-21(25-16)12-22(29)27-10-8-26(9-11-27)14-20(28)23-7-6-17-13-24-19-5-3-2-4-18(17)19/h2-5,13,15,24H,6-12,14H2,1H3,(H,23,28)
InChIKeyWJKWXAKILFPRSR-UHFFFAOYSA-N
XLogP1.98
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 8595951
N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-2-carboxamide
CID 110696129
N-[2-(1H-indol-3-yl)ethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 8620098
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 17413437
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 26551169
2-[[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]methyl]isoindole-1,3-dione
CID 9324948
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
N-[(2-fluorophenyl)methyl]-2-[4-[2-(1H-indol-3-yl)acetyl]piperazin-1-yl]acetamide
CID 60502687
2-[(3S)-3-hydroxypiperidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 51924548
2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]-N-[(R)-phenyl(thiophen-2-yl)methyl]acetamide
CID 40796933
2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 41118362
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29136158

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide (CID 17432177) is N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide is Cc1csc(CC(=O)N2CCN(CC(=O)NCCc3c[nH]c4ccccc34)CC2)n1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide?
The InChIKey is WJKWXAKILFPRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2S/c1-16-15-30-21(25-16)12-22(29)27-10-8-26(9-11-27)14-20(28)23-7-6-17-13-24-19-5-3-2-4-18(17)19/h2-5,13,15,24H,6-12,14H2,1H3,(H,23,28).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide?
N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide has a molecular weight of 425.56 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-2-[4-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 17432177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).