2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone

C21H19NOS2 — CID 5210952

IUPAC2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCSC1c1cccs1
InChIInChI=1S/C21H19NOS2/c23-20(22-13-15-25-21(22)18-12-7-14-24-18)19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,19,21H,13,15H2
InChIKeyNAGXJJBIZBVAJC-UHFFFAOYSA-N
MW365.52 g/mol
LogP5.15
Rot. Bonds4

About 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone

2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone (PubChem CID 5210952) has the molecular formula C21H19NOS2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone.

Molecular Properties

Compound Name2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
PubChem CID5210952
Molecular FormulaC21H19NOS2
Molecular Weight365.52 g/mol
Exact Mass365.09
IUPAC Name2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone
SMILESO=C(C(c1ccccc1)c1ccccc1)N1CCSC1c1cccs1
InChIInChI=1S/C21H19NOS2/c23-20(22-13-15-25-21(22)18-12-7-14-24-18)19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,19,21H,13,15H2
InChIKeyNAGXJJBIZBVAJC-UHFFFAOYSA-N
XLogP5.15
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone?
The IUPAC name of 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone (CID 5210952) is 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone.
What is the SMILES notation for 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone?
The canonical SMILES for 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone is O=C(C(c1ccccc1)c1ccccc1)N1CCSC1c1cccs1.
What is the InChIKey of 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone?
The InChIKey is NAGXJJBIZBVAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NOS2/c23-20(22-13-15-25-21(22)18-12-7-14-24-18)19(16-8-3-1-4-9-16)17-10-5-2-6-11-17/h1-12,14,19,21H,13,15H2.
What are the key properties of 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone?
2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-1-(2-thiophen-2-yl-1,3-thiazolidin-3-yl)ethanone is sourced from PubChem (CID 5210952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).