2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

C13H21N3S — CID 63342292

IUPAC2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC(c1nc2c(s1)CCCC2)N1CCNCC1
InChIInChI=1S/C13H21N3S/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13/h10,14H,2-9H2,1H3
InChIKeyUTFYEAOJSONTLI-UHFFFAOYSA-N
MW251.40 g/mol
LogP1.99
Rot. Bonds2

About 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole

2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole (PubChem CID 63342292) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole.

Molecular Properties

Compound Name2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
PubChem CID63342292
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole
SMILESCC(c1nc2c(s1)CCCC2)N1CCNCC1
InChIInChI=1S/C13H21N3S/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13/h10,14H,2-9H2,1H3
InChIKeyUTFYEAOJSONTLI-UHFFFAOYSA-N
XLogP1.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The IUPAC name of 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole (CID 63342292) is 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole.
What is the SMILES notation for 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The canonical SMILES for 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole is CC(c1nc2c(s1)CCCC2)N1CCNCC1.
What is the InChIKey of 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
The InChIKey is UTFYEAOJSONTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(16-8-6-14-7-9-16)13-15-11-4-2-3-5-12(11)17-13/h10,14H,2-9H2,1H3.
What are the key properties of 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole?
2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole has a molecular weight of 251.40 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-piperazin-1-ylethyl)-4,5,6,7-tetrahydro-1,3-benzothiazole is sourced from PubChem (CID 63342292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).