(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide

C22H22N2O4S — CID 8827979

IUPAC(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)/C=c1\s/c(=C\c2cc(C)c(O)c(C)c2)c(=O)n1C
InChIInChI=1S/C22H22N2O4S/c1-13-9-15(10-14(2)21(13)26)11-18-22(27)24(3)20(29-18)12-19(25)23-16-7-5-6-8-17(16)28-4/h5-12,26H,1-4H3,(H,23,25)/b18-11-,20-12-
InChIKeyUZHNJAUNTWDIEN-GUQQWVPNSA-N
MW410.50 g/mol
LogP2.03
Rot. Bonds4

About (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide

(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide (PubChem CID 8827979) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
PubChem CID8827979
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)/C=c1\s/c(=C\c2cc(C)c(O)c(C)c2)c(=O)n1C
InChIInChI=1S/C22H22N2O4S/c1-13-9-15(10-14(2)21(13)26)11-18-22(27)24(3)20(29-18)12-19(25)23-16-7-5-6-8-17(16)28-4/h5-12,26H,1-4H3,(H,23,25)/b18-11-,20-12-
InChIKeyUZHNJAUNTWDIEN-GUQQWVPNSA-N
XLogP2.03
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2Z)-2-[(5Z)-5-[(4-hydroxyphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827923
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 8827958
(2Z,5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-2-(2-oxo-2-thiophen-2-ylethylidene)-1,3-thiazolidin-4-one
CID 8831524
(2Z,5Z)-5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831734
N'-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-N-(2-methoxyphenyl)propanediamide
CID 135625822
(2Z,5Z)-5-[(4-methoxy-3-propoxyphenyl)methylidene]-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 8831758
(2Z,5Z)-5-benzylidene-3-methyl-2-[2-(2-methylphenyl)-2-oxoethylidene]-1,3-thiazolidin-4-one
CID 17420075
(2Z)-2-[(5Z)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 98677854
2-[5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide
CID 4804076
(2Z,5Z)-2-[2-(4-chlorophenyl)-2-oxoethylidene]-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-methyl-1,3-thiazolidin-4-one
CID 8831598
2-imino-N-(2-methoxyphenyl)acetamide
CID 145295181
N-(2-methoxyphenyl)-2-[5-[[4-(methylamino)-3-nitrophenyl]methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 4849271

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of (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) is (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)/C=c1\s/c(=C\c2cc(C)c(O)c(C)c2)c(=O)n1C.
What is the InChIKey of (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
The InChIKey is UZHNJAUNTWDIEN-GUQQWVPNSA-N. The full InChI is InChI=1S/C22H22N2O4S/c1-13-9-15(10-14(2)21(13)26)11-18-22(27)24(3)20(29-18)12-19(25)23-16-7-5-6-8-17(16)28-4/h5-12,26H,1-4H3,(H,23,25)/b18-11-,20-12-.
What are the key properties of (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide?
(2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide has a molecular weight of 410.50 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[(4-hydroxy-3,5-dimethylphenyl)methylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 8827979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).