2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone

C24H23N5O2S — CID 55809999

IUPAC2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2cccnc2)n1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(12-18-15-26-21-6-2-1-5-20(18)21)28-8-10-29(11-9-28)23(31)13-19-16-32-24(27-19)17-4-3-7-25-14-17/h1-7,14-16,26H,8-13H2
InChIKeyGIMMGNDWDZNRGC-UHFFFAOYSA-N
MW445.55 g/mol
LogP3.14
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone (PubChem CID 55809999) has the molecular formula C24H23N5O2S and a molecular weight of 445.55 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone
PubChem CID55809999
Molecular FormulaC24H23N5O2S
Molecular Weight445.55 g/mol
Exact Mass445.16
IUPAC Name2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone
SMILESO=C(Cc1csc(-c2cccnc2)n1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H23N5O2S/c30-22(12-18-15-26-21-6-2-1-5-20(18)21)28-8-10-29(11-9-28)23(31)13-19-16-32-24(27-19)17-4-3-7-25-14-17/h1-7,14-16,26H,8-13H2
InChIKeyGIMMGNDWDZNRGC-UHFFFAOYSA-N
XLogP3.14
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.55
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperazin-1-yl-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39161804
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39080939
1-(4-benzhydrylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 39080984
1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 55438721
1-[4-(2-methylpropyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134061266
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134021958
[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetate
CID 8920768
1-[4-(aminomethyl)piperidin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119423521
1-[4-(oxolane-2-carbonyl)piperazin-1-yl]-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 134059948
1-(2-amino-4-pyridin-3-yl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(1H-indol-3-yl)ethanone
CID 56748686
2-(2-pyridin-3-yl-1,3-thiazol-4-yl)-1-[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 55386751
2-[(2R)-4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 125119116

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone (CID 55809999) is 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone is O=C(Cc1csc(-c2cccnc2)n1)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone?
The InChIKey is GIMMGNDWDZNRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2S/c30-22(12-18-15-26-21-6-2-1-5-20(18)21)28-8-10-29(11-9-28)23(31)13-19-16-32-24(27-19)17-4-3-7-25-14-17/h1-7,14-16,26H,8-13H2.
What are the key properties of 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone has a molecular weight of 445.55 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[4-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 55809999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).