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

C19H23NO3S — CID 98434254

IUPAC(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C19H23NO3S/c1-12-7-8-14(23-6)13(9-12)10-15-18(22)20(5)17(24-15)11-16(21)19(2,3)4/h7-11H,1-6H3/b15-10-,17-11+
InChIKeyBXMBXGUHAGPICI-JBOZTJCHSA-N
MW345.46 g/mol
LogP1.99
Rot. Bonds3

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

(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (PubChem CID 98434254) has the molecular formula C19H23NO3S and a molecular weight of 345.46 g/mol. Its IUPAC name is (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
PubChem CID98434254
Molecular FormulaC19H23NO3S
Molecular Weight345.46 g/mol
Exact Mass345.14
IUPAC Name(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
SMILESCOc1ccc(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)n(C)c1=O
InChIInChI=1S/C19H23NO3S/c1-12-7-8-14(23-6)13(9-12)10-15-18(22)20(5)17(24-15)11-16(21)19(2,3)4/h7-11H,1-6H3/b15-10-,17-11+
InChIKeyBXMBXGUHAGPICI-JBOZTJCHSA-N
XLogP1.99
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(E)-[(2Z)-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid
CID 17470453
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
CID 8716195
(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 98449361
(2Z,5E)-5-[[5-(2-chlorophenyl)thiophen-2-yl]methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-3-methyl-1,3-thiazolidin-4-one
CID 24656224
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831758
2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 4795282
(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831529
(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827979
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[5-[(2,3-dimethoxyphenyl)methylidene]-2-(3,3-dimethyl-2-oxobutylidene)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 4841477
(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923

Frequently Asked Questions

What is the IUPAC name of (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The IUPAC name of (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one (CID 98434254) is (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one.
What is the SMILES notation for (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The canonical SMILES for (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is COc1ccc(C)cc1/C=c1\s/c(=C/C(=O)C(C)(C)C)n(C)c1=O.
What is the InChIKey of (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
The InChIKey is BXMBXGUHAGPICI-JBOZTJCHSA-N. The full InChI is InChI=1S/C19H23NO3S/c1-12-7-8-14(23-6)13(9-12)10-15-18(22)20(5)17(24-15)11-16(21)19(2,3)4/h7-11H,1-6H3/b15-10-,17-11+.
What are the key properties of (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one?
(2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one has a molecular weight of 345.46 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,5Z)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2-methoxy-5-methylphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one is sourced from PubChem (CID 98434254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).