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

C17H24FN3OS — CID 10759394

IUPAC3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3OS/c18-15-3-5-16(6-4-15)20-11-9-19(10-12-20)7-1-2-8-21-14-23-13-17(21)22/h3-6H,1-2,7-14H2
InChIKeyKMJQEKNRQDMGCF-UHFFFAOYSA-N
MW337.46 g/mol
LogP2.26
Rot. Bonds6

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

3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (PubChem CID 10759394) has the molecular formula C17H24FN3OS and a molecular weight of 337.46 g/mol. Its IUPAC name is 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
PubChem CID10759394
Molecular FormulaC17H24FN3OS
Molecular Weight337.46 g/mol
Exact Mass337.16
IUPAC Name3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one
SMILESO=C1CSCN1CCCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C17H24FN3OS/c18-15-3-5-16(6-4-15)20-11-9-19(10-12-20)7-1-2-8-21-14-23-13-17(21)22/h3-6H,1-2,7-14H2
InChIKeyKMJQEKNRQDMGCF-UHFFFAOYSA-N
XLogP2.26
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 52.26
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-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The IUPAC name of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one (CID 10759394) is 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is O=C1CSCN1CCCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
The InChIKey is KMJQEKNRQDMGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3OS/c18-15-3-5-16(6-4-15)20-11-9-19(10-12-20)7-1-2-8-21-14-23-13-17(21)22/h3-6H,1-2,7-14H2.
What are the key properties of 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one?
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one has a molecular weight of 337.46 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 10759394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).