2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole

C19H19Cl2N3S — CID 121083428

IUPAC2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4cccc(Cl)c4Cl)CC3)sc2c1
InChIInChI=1S/C19H19Cl2N3S/c1-2-13-6-7-15-17(12-13)25-19(22-15)24-10-8-23(9-11-24)16-5-3-4-14(20)18(16)21/h3-7,12H,2,8-11H2,1H3
InChIKeyIKKKDNRJUQCZOH-UHFFFAOYSA-N
MW392.36 g/mol
LogP5.49
Rot. Bonds3

About 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole

2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole (PubChem CID 121083428) has the molecular formula C19H19Cl2N3S and a molecular weight of 392.36 g/mol. Its IUPAC name is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole.

Molecular Properties

Compound Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole
PubChem CID121083428
Molecular FormulaC19H19Cl2N3S
Molecular Weight392.36 g/mol
Exact Mass391.07
IUPAC Name2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole
SMILESCCc1ccc2nc(N3CCN(c4cccc(Cl)c4Cl)CC3)sc2c1
InChIInChI=1S/C19H19Cl2N3S/c1-2-13-6-7-15-17(12-13)25-19(22-15)24-10-8-23(9-11-24)16-5-3-4-14(20)18(16)21/h3-7,12H,2,8-11H2,1H3
InChIKeyIKKKDNRJUQCZOH-UHFFFAOYSA-N
XLogP5.49
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.36
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-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-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole?
The IUPAC name of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole (CID 121083428) is 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole.
What is the SMILES notation for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole?
The canonical SMILES for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole is CCc1ccc2nc(N3CCN(c4cccc(Cl)c4Cl)CC3)sc2c1.
What is the InChIKey of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole?
The InChIKey is IKKKDNRJUQCZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3S/c1-2-13-6-7-15-17(12-13)25-19(22-15)24-10-8-23(9-11-24)16-5-3-4-14(20)18(16)21/h3-7,12H,2,8-11H2,1H3.
What are the key properties of 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole?
2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole has a molecular weight of 392.36 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-6-ethyl-1,3-benzothiazole is sourced from PubChem (CID 121083428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).