2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

C15H9Cl2N3OS — CID 9394180

IUPAC2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H9Cl2N3OS/c1-2-20-14(21)13(22-15(20)10(7-18)8-19)6-9-3-4-11(16)12(17)5-9/h3-6H,2H2,1H3/b13-6+
InChIKeyHLDUGIUGOZEZKY-AWNIVKPZSA-N
MW350.23 g/mol
LogP2.26
Rot. Bonds2

About 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile

2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (PubChem CID 9394180) has the molecular formula C15H9Cl2N3OS and a molecular weight of 350.23 g/mol. Its IUPAC name is 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
PubChem CID9394180
Molecular FormulaC15H9Cl2N3OS
Molecular Weight350.23 g/mol
Exact Mass348.98
IUPAC Name2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
SMILESCCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C15H9Cl2N3OS/c1-2-20-14(21)13(22-15(20)10(7-18)8-19)6-9-3-4-11(16)12(17)5-9/h3-6H,2H2,1H3/b13-6+
InChIKeyHLDUGIUGOZEZKY-AWNIVKPZSA-N
XLogP2.26
TPSA69.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5E)-3-ethyl-4-oxo-5-(thiophen-3-ylmethylidene)-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 17409888
2-[5-[(3,4-dichlorophenyl)methylidene]-3-(2,5-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 3546432
2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 2479579
2-[5-[(3,4-dichlorophenyl)methylidene]-4-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 4599220
2-[(5Z)-5-[(2,6-dichlorophenyl)methylidene]-4-oxo-3-prop-2-enyl-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 6079740
2-[(5E)-5-[(3-bromophenyl)methylidene]-2-(dicyanomethylidene)-4-oxo-1,3-thiazolidin-3-yl]ethyl-dimethylazanium
CID 9393898
(2Z)-2-cyano-N-ethyl-2-[(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetamide
CID 58794475
2-[(5E)-3-(3-chlorophenyl)-5-[(4-cyanophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8653160
2-[5-[[4-(difluoromethoxy)phenyl]methylidene]-3-(3-methoxypropyl)-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 5223497
2-[(5Z)-3-(3-chloro-2-methylphenyl)-5-[(4-ethylphenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 8652803
(2E)-2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-(3-methylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-phenylpropanenitrile
CID 2401731
2-[(5Z)-5-[[5-[5-[5-[5-[5-[5-[5-[(Z)-[2-(dicyanomethylidene)-3-ethyl-4-oxo-1,3-thiazolidin-5-ylidene]methyl]-3-octylthiophen-2-yl]-3-octylthiophen-2-yl]-3-octylthiophen-2-yl]thiophen-2-yl]-4-octylthiophen-2-yl]-4-octylthiophen-2-yl]-4-octylthiophen-2-yl]methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile
CID 149398148

Frequently Asked Questions

What is the IUPAC name of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The IUPAC name of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile (CID 9394180) is 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile.
What is the SMILES notation for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The canonical SMILES for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is CCn1c(=C(C#N)C#N)s/c(=C/c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
The InChIKey is HLDUGIUGOZEZKY-AWNIVKPZSA-N. The full InChI is InChI=1S/C15H9Cl2N3OS/c1-2-20-14(21)13(22-15(20)10(7-18)8-19)6-9-3-4-11(16)12(17)5-9/h3-6H,2H2,1H3/b13-6+.
What are the key properties of 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile?
2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile has a molecular weight of 350.23 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]propanedinitrile is sourced from PubChem (CID 9394180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).