2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one

C23H26Cl2N2O2S — CID 3075459

IUPAC2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O2S/c24-19-6-2-17(3-7-19)22-27(21(28)16-30-22)13-1-12-26-14-10-23(29,11-15-26)18-4-8-20(25)9-5-18/h2-9,22,29H,1,10-16H2
InChIKeyFCFPNGVXEPCAGS-UHFFFAOYSA-N
MW465.45 g/mol
LogP4.94
Rot. Bonds6

About 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one

2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one (PubChem CID 3075459) has the molecular formula C23H26Cl2N2O2S and a molecular weight of 465.45 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one
PubChem CID3075459
Molecular FormulaC23H26Cl2N2O2S
Molecular Weight465.45 g/mol
Exact Mass464.11
IUPAC Name2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C23H26Cl2N2O2S/c24-19-6-2-17(3-7-19)22-27(21(28)16-30-22)13-1-12-26-14-10-23(29,11-15-26)18-4-8-20(25)9-5-18/h2-9,22,29H,1,10-16H2
InChIKeyFCFPNGVXEPCAGS-UHFFFAOYSA-N
XLogP4.94
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.45
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one (CID 3075459) is 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Cl)cc2)N1CCCN1CCC(O)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one?
The InChIKey is FCFPNGVXEPCAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2S/c24-19-6-2-17(3-7-19)22-27(21(28)16-30-22)13-1-12-26-14-10-23(29,11-15-26)18-4-8-20(25)9-5-18/h2-9,22,29H,1,10-16H2.
What are the key properties of 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one?
2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one has a molecular weight of 465.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-[3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]propyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 3075459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).