(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

C23H23NO2S2 — CID 8830574

IUPAC(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2=O)cc1
InChIInChI=1S/C23H23NO2S2/c1-23(2,3)17-9-7-16(8-10-17)19(25)14-21-24-22(26)20(28-21)13-15-5-11-18(27-4)12-6-15/h5-14H,1-4H3,(H,24,26)/b20-13-,21-14-
InChIKeyNBQUJYLETGWLOU-NMGXZBPKSA-N
MW409.58 g/mol
LogP3.95
Rot. Bonds4

About (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8830574) has the molecular formula C23H23NO2S2 and a molecular weight of 409.58 g/mol. Its IUPAC name is (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8830574
Molecular FormulaC23H23NO2S2
Molecular Weight409.58 g/mol
Exact Mass409.12
IUPAC Name(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCSc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2=O)cc1
InChIInChI=1S/C23H23NO2S2/c1-23(2,3)17-9-7-16(8-10-17)19(25)14-21-24-22(26)20(28-21)13-15-5-11-18(27-4)12-6-15/h5-14H,1-4H3,(H,24,26)/b20-13-,21-14-
InChIKeyNBQUJYLETGWLOU-NMGXZBPKSA-N
XLogP3.95
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 53.95
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
2-[2-(4-Tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2115214
(2E,5E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 5715392
(2E,5E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830535
(2E,5E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(3-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830555
(2E,5E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(3,4-difluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 8830579
(2Z,5Z)-5-benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 5715394
2-[2-(4-Tert-butylphenyl)-2-oxoethylidene]-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-4-one
CID 2818917
5-Benzylidene-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818920
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 2700338
(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2818906
5-[(3-Methylphenyl)methylidene]-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 4793239

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8830574) is (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is CSc1ccc(/C=c2\s/c(=C\C(=O)c3ccc(C(C)(C)C)cc3)[nH]c2=O)cc1.
What is the InChIKey of (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is NBQUJYLETGWLOU-NMGXZBPKSA-N. The full InChI is InChI=1S/C23H23NO2S2/c1-23(2,3)17-9-7-16(8-10-17)19(25)14-21-24-22(26)20(28-21)13-15-5-11-18(27-4)12-6-15/h5-14H,1-4H3,(H,24,26)/b20-13-,21-14-.
What are the key properties of (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 409.58 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8830574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).