2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

C16H20FN3O2S — CID 46137499

IUPAC2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCN1CCN(C(=O)CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O2S/c1-18-6-8-19(9-7-18)14(21)10-20-15(22)11-23-16(20)12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3
InChIKeyQJXFYEUGLYBUKN-UHFFFAOYSA-N
MW337.42 g/mol
LogP1.17
Rot. Bonds3

About 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one

2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 46137499) has the molecular formula C16H20FN3O2S and a molecular weight of 337.42 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID46137499
Molecular FormulaC16H20FN3O2S
Molecular Weight337.42 g/mol
Exact Mass337.13
IUPAC Name2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCN1CCN(C(=O)CN2C(=O)CSC2c2ccccc2F)CC1
InChIInChI=1S/C16H20FN3O2S/c1-18-6-8-19(9-7-18)14(21)10-20-15(22)11-23-16(20)12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3
InChIKeyQJXFYEUGLYBUKN-UHFFFAOYSA-N
XLogP1.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one (CID 46137499) is 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is CN1CCN(C(=O)CN2C(=O)CSC2c2ccccc2F)CC1.
What is the InChIKey of 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is QJXFYEUGLYBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S/c1-18-6-8-19(9-7-18)14(21)10-20-15(22)11-23-16(20)12-4-2-3-5-13(12)17/h2-5,16H,6-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one?
2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 46137499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).