(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

C19H13N3O2S — CID 6195914

IUPAC(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1
InChIInChI=1S/C19H13N3O2S/c23-18-16(25-19(24)20-18)11-14-12-22(15-9-5-2-6-10-15)21-17(14)13-7-3-1-4-8-13/h1-12H,(H,20,23,24)/b16-11-
InChIKeyJQYPSRHCWYXONR-WJDWOHSUSA-N
MW347.40 g/mol
LogP3.86
Rot. Bonds3

About (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione

(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (PubChem CID 6195914) has the molecular formula C19H13N3O2S and a molecular weight of 347.40 g/mol. Its IUPAC name is (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
PubChem CID6195914
Molecular FormulaC19H13N3O2S
Molecular Weight347.40 g/mol
Exact Mass347.07
IUPAC Name(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1
InChIInChI=1S/C19H13N3O2S/c23-18-16(25-19(24)20-18)11-14-12-22(15-9-5-2-6-10-15)21-17(14)13-7-3-1-4-8-13/h1-12H,(H,20,23,24)/b16-11-
InChIKeyJQYPSRHCWYXONR-WJDWOHSUSA-N
XLogP3.86
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.40
LogP ≤ 53.86
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

((5Z)-5-((1,3-Diphenyl-1H-pyrazol-4-YL)methylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-YL)acetic acid
CID 5906152
5-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 2232587
2-[(5Z)-5-{[1,3-bis(4-fluorophenyl)-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 24797013
5-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-2-mercaptothiazol-4(5H)-one
CID 1526878
2-[(5E)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 6108879
4-((1,3-Diphenyl-1H-pyrazol-4-yl)methylene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 6258408
US11649231, Example 1-1K
CID 9027736
US11649231, Example 1-37
CID 150647632
US11649231, Example 1-8
CID 151182491
1H-Pyrazole-4-carboxamide, 1,3-diphenyl-
CID 882232
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(1,3-diphenyl-1H-pyrazol-4-yl)acrylamide
CID 1345642
2-[(5Z)-5-[[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 1526715

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The IUPAC name of (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione (CID 6195914) is (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S1.
What is the InChIKey of (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
The InChIKey is JQYPSRHCWYXONR-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H13N3O2S/c23-18-16(25-19(24)20-18)11-14-12-22(15-9-5-2-6-10-15)21-17(14)13-7-3-1-4-8-13/h1-12H,(H,20,23,24)/b16-11-.
What are the key properties of (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione?
(5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione has a molecular weight of 347.40 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1,3-diphenylpyrazol-4-yl)methylidene]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 6195914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).