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

C18H27N3OS — CID 10664387

IUPAC3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1
InChIInChI=1S/C18H27N3OS/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)8-4-5-9-21-15-23-14-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyTZUNRCMCHCTVRE-UHFFFAOYSA-N
MW333.50 g/mol
LogP2.43
Rot. Bonds6

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

3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10664387) has the molecular formula C18H27N3OS and a molecular weight of 333.50 g/mol. Its IUPAC name is 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10664387
Molecular FormulaC18H27N3OS
Molecular Weight333.50 g/mol
Exact Mass333.19
IUPAC Name3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1
InChIInChI=1S/C18H27N3OS/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)8-4-5-9-21-15-23-14-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyTZUNRCMCHCTVRE-UHFFFAOYSA-N
XLogP2.43
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[4-[4-(2-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

N'-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]ethane-1,2-diamine
CID 10492743
2-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione;hydrochloride
CID 52941716
3-[4-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]butyl]-2H-1,3-benzothiazole
CID 141361968
2-[4-(2-methylphenyl)piperazin-1-yl]acetamide
CID 3088677
8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11474152
1-(2-methylphenyl)-4-(3-thiophen-2-yloxypropyl)piperazine;hydrochloride
CID 6451642
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
4-[[4-(2-methylphenyl)piperazin-1-yl]methyl]benzoic acid
CID 23964120
2-methoxy-5-[5-[4-(2-methylphenyl)piperazin-1-yl]pentyl]benzenesulfonamide
CID 70458167
N-[4-(4-ethylpiperazin-1-yl)-3-methylphenyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 24525463
1-[4-(2-methylphenyl)piperazin-1-yl]propan-2-amine
CID 102550761
1-(2-methylphenyl)-4-[(4-methylphenyl)methyl]piperazine
CID 785695

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10664387) is 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is Cc1ccccc1N1CCN(CCCCN2CSCC2=O)CC1.
What is the InChIKey of 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is TZUNRCMCHCTVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3OS/c1-16-6-2-3-7-17(16)20-12-10-19(11-13-20)8-4-5-9-21-15-23-14-18(21)22/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 333.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-methylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10664387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).