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

C24H24N4O2S — CID 2374697

IUPAC(2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCCn1c(=O)/c(=C\c2ccc(N(C)C)cc2)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24N4O2S/c1-5-28-23(30)21(14-17-8-12-19(13-9-17)27(3)4)31-24(28)20(15-25)22(29)26-18-10-6-16(2)7-11-18/h6-14H,5H2,1-4H3,(H,26,29)/b21-14+,24-20-
InChIKeySNSXJZSFCVMENQ-XVXXCEHASA-N
MW432.55 g/mol
LogP2.45
Rot. Bonds5

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

(2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (PubChem CID 2374697) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name(2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
PubChem CID2374697
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name(2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide
SMILESCCn1c(=O)/c(=C\c2ccc(N(C)C)cc2)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C24H24N4O2S/c1-5-28-23(30)21(14-17-8-12-19(13-9-17)27(3)4)31-24(28)20(15-25)22(29)26-18-10-6-16(2)7-11-18/h6-14H,5H2,1-4H3,(H,26,29)/b21-14+,24-20-
InChIKeySNSXJZSFCVMENQ-XVXXCEHASA-N
XLogP2.45
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

4-Thiazolidinone, 5-[[4-(diethylamino)phenyl]methylene]-2-thioxo-
CID 3034543
5-{[4-(Dimethylamino)phenyl]methylene}-1,3-thiazolidine-2,4-dione
CID 1641793
4-Thiazolidinone, 5-((4-(diethylamino)phenyl)methylene)-2-thioxo-
CID 1237173
5-(4-Diethylaminobenzylidene)rhodanine
CID 1237172
3-(2-Aminoethyl)-5-(4-(dimethylamino)benzylidene)thiazolidine-2,4-dione
CID 2329349
N-[4-(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)phenyl]acetamide
CID 3630500
7-(3-Methylanilino)-9-oxo-6-thia-10-azaspiro[4.5]dec-7-ene-8-carbonitrile
CID 330501
2-cyano-2-(3-ethyl-4-oxo-5-((4-(2-(pyrrolidin-1-yl)ethyl)phenylamino)methylene)thiazolidin-2-ylidene)-N-(2,2,2-trifluoroethyl)acetamide
CID 44579007
2-(3-Ethyl-4-oxo-5-((phenylamino)methylene)thiazolidin-2-ylidene)-3-oxo-3-(pyrrolidin-1-yl)propanenitrile
CID 44579009
(E)-N-benzyl-2-cyano-3-[4-(diethylamino)phenyl]prop-2-enamide
CID 685554
methyl (2E)-{(2Z)-2-[2-(benzylamino)-1-cyano-2-oxoethylidene]-4-oxo-3-phenyl-1,3-thiazolidin-5-ylidene}ethanoate
CID 1194132
5-{3-[4-(Dimethylamino)phenyl]-2-propen-1-ylidene}-3-(2-propyn-1-yl)-1,3-thiazolidine-2,4-dione
CID 1209837

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The IUPAC name of (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide (CID 2374697) is (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The canonical SMILES for (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is CCn1c(=O)/c(=C\c2ccc(N(C)C)cc2)s/c1=C(/C#N)C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
The InChIKey is SNSXJZSFCVMENQ-XVXXCEHASA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-5-28-23(30)21(14-17-8-12-19(13-9-17)27(3)4)31-24(28)20(15-25)22(29)26-18-10-6-16(2)7-11-18/h6-14H,5H2,1-4H3,(H,26,29)/b21-14+,24-20-.
What are the key properties of (2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide?
(2Z)-2-cyano-2-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide has a molecular weight of 432.55 g/mol, XLogP of 2.45, 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-[(5E)-5-[[4-(dimethylamino)phenyl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2374697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).