2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one

C20H27F2N3O2S — CID 42815121

IUPAC2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
SMILESCC(C)CC(C(=O)N1CCN(C)CC1)N1C(=O)CSC1c1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2S/c1-13(2)10-17(19(27)24-8-6-23(3)7-9-24)25-18(26)12-28-20(25)15-5-4-14(21)11-16(15)22/h4-5,11,13,17,20H,6-10,12H2,1-3H3
InChIKeyFEGHGFBLGIRTEH-UHFFFAOYSA-N
MW411.52 g/mol
LogP2.73
Rot. Bonds5

About 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one

2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one (PubChem CID 42815121) has the molecular formula C20H27F2N3O2S and a molecular weight of 411.52 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
PubChem CID42815121
Molecular FormulaC20H27F2N3O2S
Molecular Weight411.52 g/mol
Exact Mass411.18
IUPAC Name2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one
SMILESCC(C)CC(C(=O)N1CCN(C)CC1)N1C(=O)CSC1c1ccc(F)cc1F
InChIInChI=1S/C20H27F2N3O2S/c1-13(2)10-17(19(27)24-8-6-23(3)7-9-24)25-18(26)12-28-20(25)15-5-4-14(21)11-16(15)22/h4-5,11,13,17,20H,6-10,12H2,1-3H3
InChIKeyFEGHGFBLGIRTEH-UHFFFAOYSA-N
XLogP2.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one (CID 42815121) is 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one is CC(C)CC(C(=O)N1CCN(C)CC1)N1C(=O)CSC1c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one?
The InChIKey is FEGHGFBLGIRTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N3O2S/c1-13(2)10-17(19(27)24-8-6-23(3)7-9-24)25-18(26)12-28-20(25)15-5-4-14(21)11-16(15)22/h4-5,11,13,17,20H,6-10,12H2,1-3H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one?
2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one has a molecular weight of 411.52 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-3-[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 42815121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).