(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

C25H21Cl2N3O2S — CID 2411094

IUPAC(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCc1ccc(-n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)s/c2=C(/C#N)C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C25H21Cl2N3O2S/c1-15-5-8-21(16(2)11-15)30-24(32)22(12-17-6-7-18(26)13-20(17)27)33-25(30)19(14-28)23(31)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3/b22-12-,25-19-
InChIKeyRHQLKNCJFLVXNZ-QNHXAVDNSA-N
MW498.44 g/mol
LogP3.95
Rot. Bonds3

About (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile

(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile (PubChem CID 2411094) has the molecular formula C25H21Cl2N3O2S and a molecular weight of 498.44 g/mol. Its IUPAC name is (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile.

Molecular Properties

Compound Name(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
PubChem CID2411094
Molecular FormulaC25H21Cl2N3O2S
Molecular Weight498.44 g/mol
Exact Mass497.07
IUPAC Name(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
SMILESCc1ccc(-n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)s/c2=C(/C#N)C(=O)N2CCCC2)c(C)c1
InChIInChI=1S/C25H21Cl2N3O2S/c1-15-5-8-21(16(2)11-15)30-24(32)22(12-17-6-7-18(26)13-20(17)27)33-25(30)19(14-28)23(31)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3/b22-12-,25-19-
InChIKeyRHQLKNCJFLVXNZ-QNHXAVDNSA-N
XLogP3.95
TPSA66.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The IUPAC name of (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile (CID 2411094) is (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile.
What is the SMILES notation for (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The canonical SMILES for (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile is Cc1ccc(-n2c(=O)/c(=C/c3ccc(Cl)cc3Cl)s/c2=C(/C#N)C(=O)N2CCCC2)c(C)c1.
What is the InChIKey of (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
The InChIKey is RHQLKNCJFLVXNZ-QNHXAVDNSA-N. The full InChI is InChI=1S/C25H21Cl2N3O2S/c1-15-5-8-21(16(2)11-15)30-24(32)22(12-17-6-7-18(26)13-20(17)27)33-25(30)19(14-28)23(31)29-9-3-4-10-29/h5-8,11-13H,3-4,9-10H2,1-2H3/b22-12-,25-19-.
What are the key properties of (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile?
(2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile has a molecular weight of 498.44 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5Z)-5-[(2,4-dichlorophenyl)methylidene]-3-(2,4-dimethylphenyl)-4-oxo-1,3-thiazolidin-2-ylidene]-3-oxo-3-pyrrolidin-1-ylpropanenitrile is sourced from PubChem (CID 2411094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).