(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

C20H25NO2S — CID 8814305

IUPAC(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc1
InChIInChI=1S/C20H25NO2S/c1-13(2)15-9-7-14(8-10-15)11-16-19(23)21(6)18(24-16)12-17(22)20(3,4)5/h7-13H,1-6H3/b16-11-,18-12-
InChIKeyPLWBTJVRRRTEIB-UOEITARKSA-N
MW343.49 g/mol
LogP2.79
Rot. Bonds3

About (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one

(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 8814305) has the molecular formula C20H25NO2S and a molecular weight of 343.49 g/mol. Its IUPAC name is (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID8814305
Molecular FormulaC20H25NO2S
Molecular Weight343.49 g/mol
Exact Mass343.16
IUPAC Name(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESCC(C)c1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc1
InChIInChI=1S/C20H25NO2S/c1-13(2)15-9-7-14(8-10-15)11-16-19(23)21(6)18(24-16)12-17(22)20(3,4)5/h7-13H,1-6H3/b16-11-,18-12-
InChIKeyPLWBTJVRRRTEIB-UOEITARKSA-N
XLogP2.79
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.49
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 8814305) is (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is CC(C)c1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc1.
What is the InChIKey of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is PLWBTJVRRRTEIB-UOEITARKSA-N. The full InChI is InChI=1S/C20H25NO2S/c1-13(2)15-9-7-14(8-10-15)11-16-19(23)21(6)18(24-16)12-17(22)20(3,4)5/h7-13H,1-6H3/b16-11-,18-12-.
What are the key properties of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one?
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 343.49 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-5-[(4-propan-2-ylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 8814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).