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

C17H24ClN3OS — CID 10831936

IUPAC3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3OS/c18-15-4-3-5-16(12-15)20-10-8-19(9-11-20)6-1-2-7-21-14-23-13-17(21)22/h3-5,12H,1-2,6-11,13-14H2
InChIKeyGLXMUWITVSVHQW-UHFFFAOYSA-N
MW353.92 g/mol
LogP2.78
Rot. Bonds6

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

3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10831936) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10831936
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC Name3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C17H24ClN3OS/c18-15-4-3-5-16(12-15)20-10-8-19(9-11-20)6-1-2-7-21-14-23-13-17(21)22/h3-5,12H,1-2,6-11,13-14H2
InChIKeyGLXMUWITVSVHQW-UHFFFAOYSA-N
XLogP2.78
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.92
LogP ≤ 52.78
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10831936) is 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is GLXMUWITVSVHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3OS/c18-15-4-3-5-16(12-15)20-10-8-19(9-11-20)6-1-2-7-21-14-23-13-17(21)22/h3-5,12H,1-2,6-11,13-14H2.
What are the key properties of 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 353.92 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(3-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10831936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).