2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

C20H31N3OS — CID 10594773

IUPAC2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2CCN(CCCCN3C(=O)CSC3(C)C)CC2)c1
InChIInChI=1S/C20H31N3OS/c1-17-7-6-8-18(15-17)22-13-11-21(12-14-22)9-4-5-10-23-19(24)16-25-20(23,2)3/h6-8,15H,4-5,9-14,16H2,1-3H3
InChIKeyHQOFCIQVUAGMFI-UHFFFAOYSA-N
MW361.56 g/mol
LogP3.21
Rot. Bonds6

About 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one

2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10594773) has the molecular formula C20H31N3OS and a molecular weight of 361.56 g/mol. Its IUPAC name is 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10594773
Molecular FormulaC20H31N3OS
Molecular Weight361.56 g/mol
Exact Mass361.22
IUPAC Name2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2CCN(CCCCN3C(=O)CSC3(C)C)CC2)c1
InChIInChI=1S/C20H31N3OS/c1-17-7-6-8-18(15-17)22-13-11-21(12-14-22)9-4-5-10-23-19(24)16-25-20(23,2)3/h6-8,15H,4-5,9-14,16H2,1-3H3
InChIKeyHQOFCIQVUAGMFI-UHFFFAOYSA-N
XLogP3.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.56
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-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

2,3-Diphenyl-4-thiazolidinone
CID 98327
4-{[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]thio}-1-ethylquinolin-2(1H)-one
CID 3240229
5-[(3-Methylphenyl)amino]-1,3-thiazolidine-2,4-dione
CID 2770839
2-(4-Methylphenyl)-3-phenyl-1,3-thiazolidin-4-one
CID 3107224
3-m-Tolylrhodanine
CID 95741
Tetrahydrothiophene fentanyl
CID 137700508
N-(2-Oxo-2-pyrrolidin-1-yl-ethyl)-N-m-tolyl-methanesulfonamide
CID 1076842
(5E)-5-(1-ethyl-2(1H)-quinolinylidene)-3-propyl-2-thioxo-1,3-thiazolidin-4-one
CID 3124665
2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
4-(3-Methylphenyl)-1-thia-4-azaspiro[4.5]decan-3-one
CID 3277826
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
3-(2-Fluorophenyl)-2-(4-fluorophenyl)-1,3-thiazolidin-4-one
CID 4245289

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10594773) is 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is Cc1cccc(N2CCN(CCCCN3C(=O)CSC3(C)C)CC2)c1.
What is the InChIKey of 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is HQOFCIQVUAGMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3OS/c1-17-7-6-8-18(15-17)22-13-11-21(12-14-22)9-4-5-10-23-19(24)16-25-20(23,2)3/h6-8,15H,4-5,9-14,16H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 361.56 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10594773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).