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

C17H24ClN3OS — CID 10831935

IUPAC3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3OS/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)7-3-4-8-21-14-23-13-17(21)22/h1-2,5-6H,3-4,7-14H2
InChIKeySDWFDYMHGVJAFB-UHFFFAOYSA-N
MW353.92 g/mol
LogP2.78
Rot. Bonds6

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

3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10831935) has the molecular formula C17H24ClN3OS and a molecular weight of 353.92 g/mol. Its IUPAC name is 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10831935
Molecular FormulaC17H24ClN3OS
Molecular Weight353.92 g/mol
Exact Mass353.13
IUPAC Name3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C17H24ClN3OS/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)7-3-4-8-21-14-23-13-17(21)22/h1-2,5-6H,3-4,7-14H2
InChIKeySDWFDYMHGVJAFB-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-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10831935) is 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is SDWFDYMHGVJAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3OS/c18-15-5-1-2-6-16(15)20-11-9-19(10-12-20)7-3-4-8-21-14-23-13-17(21)22/h1-2,5-6H,3-4,7-14H2.
What are the key properties of 3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(2-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-(2-chlorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10831935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).