2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole

C19H24ClN3S — CID 55591542

IUPAC2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1ccc(-c2nc(CN3CCN(C4CCCC4)CC3)cs2)cc1
InChIInChI=1S/C19H24ClN3S/c20-16-7-5-15(6-8-16)19-21-17(14-24-19)13-22-9-11-23(12-10-22)18-3-1-2-4-18/h5-8,14,18H,1-4,9-13H2
InChIKeyZNHPQHBHGIUPSJ-UHFFFAOYSA-N
MW361.94 g/mol
LogP4.52
Rot. Bonds4

About 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole

2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole (PubChem CID 55591542) has the molecular formula C19H24ClN3S and a molecular weight of 361.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
PubChem CID55591542
Molecular FormulaC19H24ClN3S
Molecular Weight361.94 g/mol
Exact Mass361.14
IUPAC Name2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole
SMILESClc1ccc(-c2nc(CN3CCN(C4CCCC4)CC3)cs2)cc1
InChIInChI=1S/C19H24ClN3S/c20-16-7-5-15(6-8-16)19-21-17(14-24-19)13-22-9-11-23(12-10-22)18-3-1-2-4-18/h5-8,14,18H,1-4,9-13H2
InChIKeyZNHPQHBHGIUPSJ-UHFFFAOYSA-N
XLogP4.52
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.94
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole 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-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole?
The IUPAC name of 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole (CID 55591542) is 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole is Clc1ccc(-c2nc(CN3CCN(C4CCCC4)CC3)cs2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole?
The InChIKey is ZNHPQHBHGIUPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3S/c20-16-7-5-15(6-8-16)19-21-17(14-24-19)13-22-9-11-23(12-10-22)18-3-1-2-4-18/h5-8,14,18H,1-4,9-13H2.
What are the key properties of 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole?
2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole has a molecular weight of 361.94 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(4-cyclopentylpiperazin-1-yl)methyl]-1,3-thiazole is sourced from PubChem (CID 55591542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).