5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione

C18H11ClN2O3S — CID 73460233

IUPAC5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=C2C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)
InChIKeyBPZOJKGPUXZHKW-UHFFFAOYSA-N
MW370.82 g/mol
LogP3.58
Rot. Bonds2

About 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione

5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 73460233) has the molecular formula C18H11ClN2O3S and a molecular weight of 370.82 g/mol. Its IUPAC name is 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
PubChem CID73460233
Molecular FormulaC18H11ClN2O3S
Molecular Weight370.82 g/mol
Exact Mass370.02
IUPAC Name5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(=C2C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1
InChIInChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24)
InChIKeyBPZOJKGPUXZHKW-UHFFFAOYSA-N
XLogP3.58
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.82
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione (CID 73460233) is 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(=C2C(=O)N(Cc3cccc(Cl)c3)c3ccccc32)S1.
What is the InChIKey of 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is BPZOJKGPUXZHKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O3S/c19-11-5-3-4-10(8-11)9-21-13-7-2-1-6-12(13)14(17(21)23)15-16(22)20-18(24)25-15/h1-8H,9H2,(H,20,22,24).
What are the key properties of 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione?
5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 370.82 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3-chlorophenyl)methyl]-2-oxoindol-3-ylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 73460233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).