5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide

C16H20ClN3O2S — CID 22512119

IUPAC5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCCN1CCN(C2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)CC1
InChIInChI=1S/C16H20ClN3O2S/c1-3-19-8-10-20(11-9-19)16-12(2)15(23(21,22)18-16)13-4-6-14(17)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyAMJHPACOZJZBTP-UHFFFAOYSA-N
MW353.88 g/mol
LogP2.45
Rot. Bonds2

About 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide

5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide (PubChem CID 22512119) has the molecular formula C16H20ClN3O2S and a molecular weight of 353.88 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
PubChem CID22512119
Molecular FormulaC16H20ClN3O2S
Molecular Weight353.88 g/mol
Exact Mass353.10
IUPAC Name5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
SMILESCCN1CCN(C2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)CC1
InChIInChI=1S/C16H20ClN3O2S/c1-3-19-8-10-20(11-9-19)16-12(2)15(23(21,22)18-16)13-4-6-14(17)7-5-13/h4-7H,3,8-11H2,1-2H3
InChIKeyAMJHPACOZJZBTP-UHFFFAOYSA-N
XLogP2.45
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide 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 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The IUPAC name of 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide (CID 22512119) is 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The canonical SMILES for 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide is CCN1CCN(C2=NS(=O)(=O)C(c3ccc(Cl)cc3)=C2C)CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
The InChIKey is AMJHPACOZJZBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2S/c1-3-19-8-10-20(11-9-19)16-12(2)15(23(21,22)18-16)13-4-6-14(17)7-5-13/h4-7H,3,8-11H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide?
5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide has a molecular weight of 353.88 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-(4-ethylpiperazin-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide is sourced from PubChem (CID 22512119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).