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

C15H17NO2S — CID 2115214

IUPAC(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C2/NC(=O)CS2)cc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18)/b14-8-
InChIKeyUHLNJOPKVUCCER-ZSOIEALJSA-N
MW275.37 g/mol
LogP2.87
Rot. Bonds2

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

(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (PubChem CID 2115214) has the molecular formula C15H17NO2S and a molecular weight of 275.37 g/mol. Its IUPAC name is (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
PubChem CID2115214
Molecular FormulaC15H17NO2S
Molecular Weight275.37 g/mol
Exact Mass275.10
IUPAC Name(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
SMILESCC(C)(C)c1ccc(C(=O)/C=C2/NC(=O)CS2)cc1
InChIInChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18)/b14-8-
InChIKeyUHLNJOPKVUCCER-ZSOIEALJSA-N
XLogP2.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 5715382
(2E)-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 6248443
2-[2-(4-Methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 830027
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-1,3-thiazolidin-4-one
CID 5701556
(2E)-2-[2-(3,5-dimethylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 5742533
2-(2-Oxo-2-phenylethylidene)-1,3-thiazolidin-4-one
CID 870646
(2E)-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 2120108
5-{[4-(3-Phenylpropanoyl)phenyl]methyl}-1,3-thiazolidine-2,4-dione
CID 14459913
5-[4-(4-Phenylbutyryl)benzyl]thiazolidine-2,4-dione
CID 14459938
5-[[4-[(E)-3-(2-methylphenyl)prop-2-enoyl]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 14459948
(2E,5Z)-2-(3,3-dimethyl-2-oxo-butylidene)-5-[(4-ethylphenyl)methylene]thiazolidin-4-one
CID 2700343
2-(2-(2-Methylphenyl)-2-oxoethylidene)-1,3-thiazolidin-4-one
CID 2120107

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one (CID 2115214) is (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is CC(C)(C)c1ccc(C(=O)/C=C2/NC(=O)CS2)cc1.
What is the InChIKey of (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
The InChIKey is UHLNJOPKVUCCER-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H17NO2S/c1-15(2,3)11-6-4-10(5-7-11)12(17)8-14-16-13(18)9-19-14/h4-8H,9H2,1-3H3,(H,16,18)/b14-8-.
What are the key properties of (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one?
(2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one has a molecular weight of 275.37 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-(4-tert-butylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2115214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).