2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide

C24H32N2O3S — CID 8716195

IUPAC2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)/c(=C\c2cc(C)ccc2C)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3S/c1-8-25(9-2)21(28)15-26-22(14-20(27)24(5,6)7)30-19(23(26)29)13-18-12-16(3)10-11-17(18)4/h10-14H,8-9,15H2,1-7H3/b19-13+,22-14-
InChIKeyWEPFBTFDOHLCFM-MEUPMUBXSA-N
MW428.60 g/mol
LogP2.62
Rot. Bonds6

About 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide

2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide (PubChem CID 8716195) has the molecular formula C24H32N2O3S and a molecular weight of 428.60 g/mol. Its IUPAC name is 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
PubChem CID8716195
Molecular FormulaC24H32N2O3S
Molecular Weight428.60 g/mol
Exact Mass428.21
IUPAC Name2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(=O)/c(=C\c2cc(C)ccc2C)s/c1=C\C(=O)C(C)(C)C
InChIInChI=1S/C24H32N2O3S/c1-8-25(9-2)21(28)15-26-22(14-20(27)24(5,6)7)30-19(23(26)29)13-18-12-16(3)10-11-17(18)4/h10-14H,8-9,15H2,1-7H3/b19-13+,22-14-
InChIKeyWEPFBTFDOHLCFM-MEUPMUBXSA-N
XLogP2.62
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.60
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The IUPAC name of 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) is 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The canonical SMILES for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(=O)/c(=C\c2cc(C)ccc2C)s/c1=C\C(=O)C(C)(C)C.
What is the InChIKey of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
The InChIKey is WEPFBTFDOHLCFM-MEUPMUBXSA-N. The full InChI is InChI=1S/C24H32N2O3S/c1-8-25(9-2)21(28)15-26-22(14-20(27)24(5,6)7)30-19(23(26)29)13-18-12-16(3)10-11-17(18)4/h10-14H,8-9,15H2,1-7H3/b19-13+,22-14-.
What are the key properties of 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide?
2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide has a molecular weight of 428.60 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z,5E)-2-(3,3-dimethyl-2-oxobutylidene)-5-[(2,5-dimethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-3-yl]-N,N-diethylacetamide is sourced from PubChem (CID 8716195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).