2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

C16H22FN3OS — CID 42814491

IUPAC2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C16H22FN3OS/c1-12-15(21)20(11-10-19-8-6-18-7-9-19)16(22-12)13-2-4-14(17)5-3-13/h2-5,12,16,18H,6-11H2,1H3
InChIKeyMJHQXVDRRCNXBQ-UHFFFAOYSA-N
MW323.44 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one

2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (PubChem CID 42814491) has the molecular formula C16H22FN3OS and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
PubChem CID42814491
Molecular FormulaC16H22FN3OS
Molecular Weight323.44 g/mol
Exact Mass323.15
IUPAC Name2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one
SMILESCC1SC(c2ccc(F)cc2)N(CCN2CCNCC2)C1=O
InChIInChI=1S/C16H22FN3OS/c1-12-15(21)20(11-10-19-8-6-18-7-9-19)16(22-12)13-2-4-14(17)5-3-13/h2-5,12,16,18H,6-11H2,1H3
InChIKeyMJHQXVDRRCNXBQ-UHFFFAOYSA-N
XLogP1.69
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one (CID 42814491) is 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is CC1SC(c2ccc(F)cc2)N(CCN2CCNCC2)C1=O.
What is the InChIKey of 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
The InChIKey is MJHQXVDRRCNXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3OS/c1-12-15(21)20(11-10-19-8-6-18-7-9-19)16(22-12)13-2-4-14(17)5-3-13/h2-5,12,16,18H,6-11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one?
2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one has a molecular weight of 323.44 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-methyl-3-(2-piperazin-1-ylethyl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 42814491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).