(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

C9H9N3OS2 — CID 19618227

IUPAC(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCn1ccc(/C=C2\SC(=S)NC2=O)n1
InChIInChI=1S/C9H9N3OS2/c1-2-12-4-3-6(11-12)5-7-8(13)10-9(14)15-7/h3-5H,2H2,1H3,(H,10,13,14)/b7-5-
InChIKeyBTKIKEXSMHQHRF-ALCCZGGFSA-N
MW239.32 g/mol
LogP1.39
Rot. Bonds2

About (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 19618227) has the molecular formula C9H9N3OS2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID19618227
Molecular FormulaC9H9N3OS2
Molecular Weight239.32 g/mol
Exact Mass239.02
IUPAC Name(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESCCn1ccc(/C=C2\SC(=S)NC2=O)n1
InChIInChI=1S/C9H9N3OS2/c1-2-12-4-3-6(11-12)5-7-8(13)10-9(14)15-7/h3-5H,2H2,1H3,(H,10,13,14)/b7-5-
InChIKeyBTKIKEXSMHQHRF-ALCCZGGFSA-N
XLogP1.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_rhod_A(235)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 19618227) is (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is CCn1ccc(/C=C2\SC(=S)NC2=O)n1.
What is the InChIKey of (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is BTKIKEXSMHQHRF-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H9N3OS2/c1-2-12-4-3-6(11-12)5-7-8(13)10-9(14)15-7/h3-5H,2H2,1H3,(H,10,13,14)/b7-5-.
What are the key properties of (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 239.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(1-ethylpyrazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 19618227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).