5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one

C19H11Cl2N3O3S — CID 135459648

IUPAC5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)C(=C2S/C(=N/c3cc(Cl)cc(Cl)c3)NC2=O)c2ccccc21
InChIInChI=1S/C19H11Cl2N3O3S/c1-9(25)24-14-5-3-2-4-13(14)15(18(24)27)16-17(26)23-19(28-16)22-12-7-10(20)6-11(21)8-12/h2-8H,1H3,(H,22,23,26)
InChIKeyXCGLEPMSQOVGMF-UHFFFAOYSA-N
MW432.29 g/mol
LogP4.15
Rot. Bonds1

About 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one

5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one (PubChem CID 135459648) has the molecular formula C19H11Cl2N3O3S and a molecular weight of 432.29 g/mol. Its IUPAC name is 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
PubChem CID135459648
Molecular FormulaC19H11Cl2N3O3S
Molecular Weight432.29 g/mol
Exact Mass430.99
IUPAC Name5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
SMILESCC(=O)N1C(=O)C(=C2S/C(=N/c3cc(Cl)cc(Cl)c3)NC2=O)c2ccccc21
InChIInChI=1S/C19H11Cl2N3O3S/c1-9(25)24-14-5-3-2-4-13(14)15(18(24)27)16-17(26)23-19(28-16)22-12-7-10(20)6-11(21)8-12/h2-8H,1H3,(H,22,23,26)
InChIKeyXCGLEPMSQOVGMF-UHFFFAOYSA-N
XLogP4.15
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135459637
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(2,3-dichlorophenyl)imino-1,3-thiazolidin-4-one
CID 135486639
5-(1-acetyl-2-oxoindol-3-ylidene)-4-sulfanylidene-1,3-thiazolidin-2-one
CID 23989969
(5Z)-2-(4-chlorophenyl)imino-5-[1-[(2-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidin-4-one
CID 135448763
(5Z)-2-(4-ethylphenyl)imino-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135404540
5-(1-methyl-2-oxoindol-3-ylidene)-2-pyridin-3-ylimino-1,3-thiazolidin-4-one
CID 135486611
(5Z)-2-(4-chlorophenyl)imino-5-(1,5-dimethyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135475206
5-(1-acetyl-5-bromo-2-oxoindol-3-ylidene)-1,3-thiazolidine-2,4-dione
CID 4737505
2-[(3Z)-3-[2-(2-ethylphenyl)imino-4-oxo-1,3-thiazolidin-5-ylidene]-2-oxoindol-1-yl]acetic acid
CID 135404554
(2E,5E)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]imino]-5-(1-methyl-2-oxoindol-3-ylidene)-1,3-thiazolidin-4-one
CID 135487381
(2E,5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-methyl-2-pyridin-2-ylimino-1,3-thiazolidin-4-one
CID 18841787
(5Z)-5-(1-acetyl-2-oxoindol-3-ylidene)-3-(2-ethoxyphenyl)-1,3-thiazolidine-2,4-dione
CID 18837526

Frequently Asked Questions

What is the IUPAC name of 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The IUPAC name of 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one (CID 135459648) is 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one.
What is the SMILES notation for 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The canonical SMILES for 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one is CC(=O)N1C(=O)C(=C2S/C(=N/c3cc(Cl)cc(Cl)c3)NC2=O)c2ccccc21.
What is the InChIKey of 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?
The InChIKey is XCGLEPMSQOVGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2N3O3S/c1-9(25)24-14-5-3-2-4-13(14)15(18(24)27)16-17(26)23-19(28-16)22-12-7-10(20)6-11(21)8-12/h2-8H,1H3,(H,22,23,26).
What are the key properties of 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one?
5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one has a molecular weight of 432.29 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetyl-2-oxoindol-3-ylidene)-2-(3,5-dichlorophenyl)imino-1,3-thiazolidin-4-one is sourced from PubChem (CID 135459648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).