2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine

C20H23NS3 — CID 3074292

IUPAC2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESc1ccc(C2(CCC3(c4ccccc4)SCCS3)NCCS2)cc1
InChIInChI=1S/C20H23NS3/c1-3-7-17(8-4-1)19(21-13-14-22-19)11-12-20(23-15-16-24-20)18-9-5-2-6-10-18/h1-10,21H,11-16H2
InChIKeyKKJPYXOFTLNARN-UHFFFAOYSA-N
MW373.61 g/mol
LogP5.29
Rot. Bonds5

About 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine

2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (PubChem CID 3074292) has the molecular formula C20H23NS3 and a molecular weight of 373.61 g/mol. Its IUPAC name is 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.

Molecular Properties

Compound Name2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
PubChem CID3074292
Molecular FormulaC20H23NS3
Molecular Weight373.61 g/mol
Exact Mass373.10
IUPAC Name2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine
SMILESc1ccc(C2(CCC3(c4ccccc4)SCCS3)NCCS2)cc1
InChIInChI=1S/C20H23NS3/c1-3-7-17(8-4-1)19(21-13-14-22-19)11-12-20(23-15-16-24-20)18-9-5-2-6-10-18/h1-10,21H,11-16H2
InChIKeyKKJPYXOFTLNARN-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.61
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The IUPAC name of 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine (CID 3074292) is 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine.
What is the SMILES notation for 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The canonical SMILES for 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is c1ccc(C2(CCC3(c4ccccc4)SCCS3)NCCS2)cc1.
What is the InChIKey of 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
The InChIKey is KKJPYXOFTLNARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NS3/c1-3-7-17(8-4-1)19(21-13-14-22-19)11-12-20(23-15-16-24-20)18-9-5-2-6-10-18/h1-10,21H,11-16H2.
What are the key properties of 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine?
2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine has a molecular weight of 373.61 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[2-(2-phenyl-1,3-dithiolan-2-yl)ethyl]-1,3-thiazolidine is sourced from PubChem (CID 3074292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).