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

C18H26FN3OS — CID 23054979

IUPAC2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one
SMILESCCCCC1(C)SCC(=O)N1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3OS/c1-3-4-9-18(2)22(17(23)14-24-18)21-12-10-20(11-13-21)16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyHJFPTPLFWMWOQQ-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.34
Rot. Bonds5

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

2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one (PubChem CID 23054979) has the molecular formula C18H26FN3OS and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one
PubChem CID23054979
Molecular FormulaC18H26FN3OS
Molecular Weight351.49 g/mol
Exact Mass351.18
IUPAC Name2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one
SMILESCCCCC1(C)SCC(=O)N1N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN3OS/c1-3-4-9-18(2)22(17(23)14-24-18)21-12-10-20(11-13-21)16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3
InChIKeyHJFPTPLFWMWOQQ-UHFFFAOYSA-N
XLogP3.34
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one?
The IUPAC name of 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one (CID 23054979) is 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one is CCCCC1(C)SCC(=O)N1N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one?
The InChIKey is HJFPTPLFWMWOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3OS/c1-3-4-9-18(2)22(17(23)14-24-18)21-12-10-20(11-13-21)16-7-5-15(19)6-8-16/h5-8H,3-4,9-14H2,1-2H3.
What are the key properties of 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one?
2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one has a molecular weight of 351.49 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-3-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 23054979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).