5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one

C15H19Cl2N3OS — CID 71620665

IUPAC5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one
SMILESCN1CCN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1
InChIInChI=1S/C15H19Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8,13,15H,4-7,9H2,1H3,(H,18,21)
InChIKeyFJYRSQKTPAHIKQ-UHFFFAOYSA-N
MW360.31 g/mol
LogP2.30
Rot. Bonds3

About 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one

5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one (PubChem CID 71620665) has the molecular formula C15H19Cl2N3OS and a molecular weight of 360.31 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one
PubChem CID71620665
Molecular FormulaC15H19Cl2N3OS
Molecular Weight360.31 g/mol
Exact Mass359.06
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one
SMILESCN1CCN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1
InChIInChI=1S/C15H19Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8,13,15H,4-7,9H2,1H3,(H,18,21)
InChIKeyFJYRSQKTPAHIKQ-UHFFFAOYSA-N
XLogP2.30
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.31
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one 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

(R)-3-Amino-4-(3,4-dichloro-phenyl)-1-thiazolidin-3-yl-butan-1-one
CID 44394072
2-(3,4-Dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone
CID 15730161
4-[2-(3,4-dichlorophenyl)acetyl]-N-methyl-3-(pyrrolidin-1-ylmethyl)piperazine-1-carboxamide
CID 19896747
5-[(3,4-Dichlorophenyl)methyl]-2-(4-ethenyl-2,3-dihydropyrazin-1-yl)-1,3-thiazolidin-4-one
CID 71620666
[3-[[4-[5-[(3,4-Dichlorophenyl)methyl]-4-oxo-1,3-thiazolidin-2-yl]piperazin-1-yl]methyl]phenyl]boronic acid
CID 71620667
N-Tert-butyl-4-{2-[2-(3,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-YL]ethyl}piperazine-1-carboxamide
CID 45976849
3-Butyl-5-[(3,4-dichlorophenyl)methyl]imidazolidine-2,4-dione
CID 12790743
2-(3,4-Dichlorophenyl)-1-[3-(pyrrolidin-1-ylmethyl)thiomorpholin-4-yl]ethanone;hydrochloride
CID 18915143
2-(3,4-Dichlorophenyl)-1-[7-(pyrrolidin-1-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone
CID 19898821
2-(3,4-Dichlorophenyl)-1-[7-(pyrrolidin-1-ylmethyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]ethanone;hydrochloride
CID 19898847
3-(2-Aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione;hydrobromide
CID 20525388
3-(2-Aminoethyl)-5-(3,4-dichlorophenyl)-1,3-thiazolidine-2,4-dione
CID 20525389

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one (CID 71620665) is 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one is CN1CCN(C2NC(=O)C(Cc3ccc(Cl)c(Cl)c3)S2)CC1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one?
The InChIKey is FJYRSQKTPAHIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3OS/c1-19-4-6-20(7-5-19)15-18-14(21)13(22-15)9-10-2-3-11(16)12(17)8-10/h2-3,8,13,15H,4-7,9H2,1H3,(H,18,21).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one?
5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one has a molecular weight of 360.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-2-(4-methylpiperazin-1-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 71620665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).