(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

C17H11N3O2S — CID 155552633

IUPAC(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-n3ncc4ccccc43)cc2)S1
InChIInChI=1S/C17H11N3O2S/c21-16-15(23-17(22)19-16)9-11-5-7-13(8-6-11)20-14-4-2-1-3-12(14)10-18-20/h1-10H,(H,19,21,22)/b15-9+
InChIKeyQAEHYTHSLYSVMY-OQLLNIDSSA-N
MW321.36 g/mol
LogP3.35
Rot. Bonds2

About (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione

(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 155552633) has the molecular formula C17H11N3O2S and a molecular weight of 321.36 g/mol. Its IUPAC name is (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID155552633
Molecular FormulaC17H11N3O2S
Molecular Weight321.36 g/mol
Exact Mass321.06
IUPAC Name(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C\c2ccc(-n3ncc4ccccc43)cc2)S1
InChIInChI=1S/C17H11N3O2S/c21-16-15(23-17(22)19-16)9-11-5-7-13(8-6-11)20-14-4-2-1-3-12(14)10-18-20/h1-10H,(H,19,21,22)/b15-9+
InChIKeyQAEHYTHSLYSVMY-OQLLNIDSSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-mercaptothiazol-4(5H)-one
CID 1526878
(z)-5-((1,3-Diphenyl-1h-pyrazol-4-yl)methylene)thiazolidine-2,4-dione
CID 6195914
(Z)-5-((1-benzyl-1h-indol-3-yl)methylene)thiazolidine-2,4-dione
CID 18973266
N-(1-Acetyl-1H-indazol-6-yl)acetamide
CID 308115
7-ethyl-6-(1-methylindazol-5-yl)-5H-[1,2]thiazolo[4,5-c]pyridine-3,4-dione
CID 118278356
(5Z)-5-[(1-phenylpyrazol-4-yl)methylene]thiazolidine-2,4-dione
CID 97737146
(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 8271338
(5Z)-3-benzyl-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 18809483
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-propyl-1,3-thiazolidine-2,4-dione
CID 46233217
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-3-prop-2-enyl-1,3-thiazolidine-2,4-dione
CID 46233219
(5Z)-5-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 76322737
(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 76326292

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione (CID 155552633) is (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C\c2ccc(-n3ncc4ccccc43)cc2)S1.
What is the InChIKey of (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is QAEHYTHSLYSVMY-OQLLNIDSSA-N. The full InChI is InChI=1S/C17H11N3O2S/c21-16-15(23-17(22)19-16)9-11-5-7-13(8-6-11)20-14-4-2-1-3-12(14)10-18-20/h1-10H,(H,19,21,22)/b15-9+.
What are the key properties of (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione?
(5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 321.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(4-indazol-1-ylphenyl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 155552633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).