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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Related Compounds

(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 5715382
(2E,5E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 17407473
(5Z)-5-[[4-[(E)-3-oxo-3-thiophen-2-ylprop-1-enyl]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 71458386
2-[2-(4-Tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2115214
(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818906
(2E,5E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 5715392
(2Z,5E)-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-5-[[4-(trifluoromethyl)phenyl]methylidene]-1,3-thiazolidin-4-one
CID 8831426
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(4-fluorophenyl)thiophen-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 46697117
(2E,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[[5-(2-fluorophenyl)thiophen-2-yl]methylidene]-1,3-thiazolidin-4-one
CID 60413921
(2Z,5Z)-5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 5715394
2-[2-(3-Chlorophenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 44482772
5-Benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920

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).