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

C19H23NO2S — CID 8814337

IUPAC(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc1
InChIInChI=1S/C19H23NO2S/c1-6-13-7-9-14(10-8-13)11-15-18(22)20(5)17(23-15)12-16(21)19(2,3)4/h7-12H,6H2,1-5H3/b15-11-,17-12-
InChIKeyAKDHFTLMUQNFBG-OZFCMSLCSA-N
MW329.47 g/mol
LogP2.23
Rot. Bonds3

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

(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 8814337) has the molecular formula C19H23NO2S and a molecular weight of 329.47 g/mol. Its IUPAC name is (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID8814337
Molecular FormulaC19H23NO2S
Molecular Weight329.47 g/mol
Exact Mass329.14
IUPAC Name(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCCc1ccc(/C=c2\s/c(=C\C(=O)C(C)(C)C)n(C)c2=O)cc1
InChIInChI=1S/C19H23NO2S/c1-6-13-7-9-14(10-8-13)11-15-18(22)20(5)17(23-15)12-16(21)19(2,3)4/h7-12H,6H2,1-5H3/b15-11-,17-12-
InChIKeyAKDHFTLMUQNFBG-OZFCMSLCSA-N
XLogP2.23
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 52.23
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)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 8814337) is (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is CCc1ccc(/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)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is AKDHFTLMUQNFBG-OZFCMSLCSA-N. The full InChI is InChI=1S/C19H23NO2S/c1-6-13-7-9-14(10-8-13)11-15-18(22)20(5)17(23-15)12-16(21)19(2,3)4/h7-12H,6H2,1-5H3/b15-11-,17-12-.
What are the key properties of (2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(2Z,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 329.47 g/mol, XLogP of 2.23, 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)-5-[(4-ethylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 8814337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).