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

C19H29N3OS — CID 10665353

IUPAC3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1C
InChIInChI=1S/C19H29N3OS/c1-16-6-5-7-18(17(16)2)21-12-10-20(11-13-21)8-3-4-9-22-15-24-14-19(22)23/h5-7H,3-4,8-15H2,1-2H3
InChIKeyNDHQLVTVKGJPKD-UHFFFAOYSA-N
MW347.53 g/mol
LogP2.74
Rot. Bonds6

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

3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10665353) has the molecular formula C19H29N3OS and a molecular weight of 347.53 g/mol. Its IUPAC name is 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10665353
Molecular FormulaC19H29N3OS
Molecular Weight347.53 g/mol
Exact Mass347.20
IUPAC Name3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESCc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1C
InChIInChI=1S/C19H29N3OS/c1-16-6-5-7-18(17(16)2)21-12-10-20(11-13-21)8-3-4-9-22-15-24-14-19(22)23/h5-7H,3-4,8-15H2,1-2H3
InChIKeyNDHQLVTVKGJPKD-UHFFFAOYSA-N
XLogP2.74
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.53
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(3-methylphenyl)acetamide
CID 3155225
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 4-methylpiperazine-1-carbodithioate
CID 744406
2-(Benzylthio)-1-(4-phenylpiperazin-1-yl)ethanone
CID 882075
1-[4-(2,3-Dimethylphenyl)-1-piperazinyl]-2-methyl-1-propanone
CID 897293
2,2,5,5-Tetramethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10572440
2,2-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10594773
5,5-Dimethyl-3-{4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10597953
5,5-Dimethyl-3-[4-(4-m-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10642355
3-[4-(4-o-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10664387
5,5-Dimethyl-3-[4-(4-o-tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10666322
3-{4-[4-(3-Trifluoromethyl-phenyl)-piperazin-1-yl]-butyl}-thiazolidin-4-one
CID 10715251
3-[4-(4-m-Tolyl-piperazin-1-yl)-butyl]-thiazolidin-4-one
CID 10759099

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10665353) is 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is Cc1cccc(N2CCN(CCCCN3CSCC3=O)CC2)c1C.
What is the InChIKey of 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is NDHQLVTVKGJPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3OS/c1-16-6-5-7-18(17(16)2)21-12-10-20(11-13-21)8-3-4-9-22-15-24-14-19(22)23/h5-7H,3-4,8-15H2,1-2H3.
What are the key properties of 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 347.53 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10665353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).