(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide

C27H21N3O3S — CID 56969722

IUPAC(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C27H21N3O3S/c1-18-8-12-20(13-9-18)29-25(31)23(17-28)27-30(21-6-4-3-5-7-21)26(32)24(34-27)16-19-10-14-22(33-2)15-11-19/h3-16H,1-2H3,(H,29,31)/b24-16-,27-23-
InChIKeyMKWQCJWVPRVIOW-CGXKQFGFSA-N
MW467.55 g/mol
LogP3.36
Rot. Bonds5

About (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide

(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (PubChem CID 56969722) has the molecular formula C27H21N3O3S and a molecular weight of 467.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
PubChem CID56969722
Molecular FormulaC27H21N3O3S
Molecular Weight467.55 g/mol
Exact Mass467.13
IUPAC Name(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C27H21N3O3S/c1-18-8-12-20(13-9-18)29-25(31)23(17-28)27-30(21-6-4-3-5-7-21)26(32)24(34-27)16-19-10-14-22(33-2)15-11-19/h3-16H,1-2H3,(H,29,31)/b24-16-,27-23-
InChIKeyMKWQCJWVPRVIOW-CGXKQFGFSA-N
XLogP3.36
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (CID 56969722) is (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is COc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The InChIKey is MKWQCJWVPRVIOW-CGXKQFGFSA-N. The full InChI is InChI=1S/C27H21N3O3S/c1-18-8-12-20(13-9-18)29-25(31)23(17-28)27-30(21-6-4-3-5-7-21)26(32)24(34-27)16-19-10-14-22(33-2)15-11-19/h3-16H,1-2H3,(H,29,31)/b24-16-,27-23-.
What are the key properties of (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
(2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide has a molecular weight of 467.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-cyano-2-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-3-phenyl-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 56969722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).