4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole

C20H21N5S — CID 141091044

IUPAC4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole
SMILESc1cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c2nsnc2c1
InChIInChI=1S/C20H21N5S/c1-2-5-17-16(4-1)15(14-21-17)8-9-24-10-12-25(13-11-24)19-7-3-6-18-20(19)23-26-22-18/h1-7,14,21H,8-13H2
InChIKeyFIQQKCYPGJXFTK-UHFFFAOYSA-N
MW363.49 g/mol
LogP3.54
Rot. Bonds4

About 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole

4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole (PubChem CID 141091044) has the molecular formula C20H21N5S and a molecular weight of 363.49 g/mol. Its IUPAC name is 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole
PubChem CID141091044
Molecular FormulaC20H21N5S
Molecular Weight363.49 g/mol
Exact Mass363.15
IUPAC Name4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole
SMILESc1cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c2nsnc2c1
InChIInChI=1S/C20H21N5S/c1-2-5-17-16(4-1)15(14-21-17)8-9-24-10-12-25(13-11-24)19-7-3-6-18-20(19)23-26-22-18/h1-7,14,21H,8-13H2
InChIKeyFIQQKCYPGJXFTK-UHFFFAOYSA-N
XLogP3.54
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole 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

3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
CID 155776079
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
[2-[2-[4-(1H-benzimidazol-4-yl)piperazin-1-yl]ethyl]phenyl]methanol
CID 167854110
3-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1H-indole
CID 117007752
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
N-[2-(1H-indol-3-yl)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 2823180
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
5-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-1,2,3,4-tetrahydroquinoline;hydrochloride
CID 11567753

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole?
The IUPAC name of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole (CID 141091044) is 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole is c1cc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c2nsnc2c1.
What is the InChIKey of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole?
The InChIKey is FIQQKCYPGJXFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5S/c1-2-5-17-16(4-1)15(14-21-17)8-9-24-10-12-25(13-11-24)19-7-3-6-18-20(19)23-26-22-18/h1-7,14,21H,8-13H2.
What are the key properties of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole?
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole has a molecular weight of 363.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole is sourced from PubChem (CID 141091044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).