2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

C20H19NO2S2 — CID 2818917

IUPAC2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3cccs3)s2)cc1
InChIInChI=1S/C20H19NO2S2/c1-20(2,3)14-8-6-13(7-9-14)16(22)12-18-21-19(23)17(25-18)11-15-5-4-10-24-15/h4-12H,1-3H3,(H,21,23)
InChIKeyYYADMAHXTRHRCL-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.29
Rot. Bonds3

About 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one

2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (PubChem CID 2818917) has the molecular formula C20H19NO2S2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
PubChem CID2818917
Molecular FormulaC20H19NO2S2
Molecular Weight369.51 g/mol
Exact Mass369.09
IUPAC Name2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3cccs3)s2)cc1
InChIInChI=1S/C20H19NO2S2/c1-20(2,3)14-8-6-13(7-9-14)16(22)12-18-21-19(23)17(25-18)11-15-5-4-10-24-15/h4-12H,1-3H3,(H,21,23)
InChIKeyYYADMAHXTRHRCL-UHFFFAOYSA-N
XLogP3.29
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The IUPAC name of 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one (CID 2818917) is 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one.
What is the SMILES notation for 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The canonical SMILES for 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C(=O)C=c2[nH]c(=O)c(=Cc3cccs3)s2)cc1.
What is the InChIKey of 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
The InChIKey is YYADMAHXTRHRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2S2/c1-20(2,3)14-8-6-13(7-9-14)16(22)12-18-21-19(23)17(25-18)11-15-5-4-10-24-15/h4-12H,1-3H3,(H,21,23).
What are the key properties of 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one?
2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one has a molecular weight of 369.51 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one is sourced from PubChem (CID 2818917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).