3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole

C21H23N5S — CID 10547613

IUPAC3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole
SMILESc1ccc(N2CCN(CCCn3nnc4c5ccccc5sc43)CC2)cc1
InChIInChI=1S/C21H23N5S/c1-2-7-17(8-3-1)25-15-13-24(14-16-25)11-6-12-26-21-20(22-23-26)18-9-4-5-10-19(18)27-21/h1-5,7-10H,6,11-16H2
InChIKeyIBOAVTRYNVUPNG-UHFFFAOYSA-N
MW377.52 g/mol
LogP3.86
Rot. Bonds5

About 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole

3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole (PubChem CID 10547613) has the molecular formula C21H23N5S and a molecular weight of 377.52 g/mol. Its IUPAC name is 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole.

Molecular Properties

Compound Name3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole
PubChem CID10547613
Molecular FormulaC21H23N5S
Molecular Weight377.52 g/mol
Exact Mass377.17
IUPAC Name3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole
SMILESc1ccc(N2CCN(CCCn3nnc4c5ccccc5sc43)CC2)cc1
InChIInChI=1S/C21H23N5S/c1-2-7-17(8-3-1)25-15-13-24(14-16-25)11-6-12-26-21-20(22-23-26)18-9-4-5-10-19(18)27-21/h1-5,7-10H,6,11-16H2
InChIKeyIBOAVTRYNVUPNG-UHFFFAOYSA-N
XLogP3.86
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.52
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole 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

9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 147260960
1-[3-(4-phenylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione
CID 12802958
4-[2-(4-phenylpiperazin-1-yl)ethyl]thiomorpholine
CID 91828439
3-[3-(4-naphthalen-1-ylpiperazin-1-yl)propyl]-1,2,3-benzotriazin-4-one
CID 24777372
1-(3-phenoxypropyl)-4-phenylpiperazine;hydrochloride
CID 53329616
1-methyl-3-[3-(4-phenylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 102058215
1-phenyl-4-[2-(5-phenyltriazol-1-yl)ethyl]piperazine
CID 142709635
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
2-(4-oxo-1,2,3-benzotriazin-3-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 55602441
3-[3-(4-phenylpiperazin-1-yl)propyl]-1H-quinazoline-2,4-dione;1H-quinazoline-2,4-dione;hydrochloride
CID 23075218
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethylsulfanyl]-1,3,4-oxadiazole
CID 53495037
1-(2-methylsulfonylethyl)-4-phenylpiperazine
CID 70946596

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole?
The IUPAC name of 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole (CID 10547613) is 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole.
What is the SMILES notation for 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole?
The canonical SMILES for 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole is c1ccc(N2CCN(CCCn3nnc4c5ccccc5sc43)CC2)cc1.
What is the InChIKey of 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole?
The InChIKey is IBOAVTRYNVUPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5S/c1-2-7-17(8-3-1)25-15-13-24(14-16-25)11-6-12-26-21-20(22-23-26)18-9-4-5-10-19(18)27-21/h1-5,7-10H,6,11-16H2.
What are the key properties of 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole?
3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole has a molecular weight of 377.52 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-phenylpiperazin-1-yl)propyl]-[1]benzothiolo[2,3-d]triazole is sourced from PubChem (CID 10547613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).