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

C13H8FN3OS2 — CID 151182491

IUPAC(5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H8FN3OS2/c14-9-1-3-10(4-2-9)17-7-8(6-15-17)5-11-12(18)16-13(19)20-11/h1-7H,(H,16,18,19)/b11-5-
InChIKeyNEPGOCUKNORYKY-WZUFQYTHSA-N
MW305.36 g/mol
LogP2.50
Rot. Bonds2

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

(5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (PubChem CID 151182491) has the molecular formula C13H8FN3OS2 and a molecular weight of 305.36 g/mol. Its IUPAC name is (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
PubChem CID151182491
Molecular FormulaC13H8FN3OS2
Molecular Weight305.36 g/mol
Exact Mass305.01
IUPAC Name(5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
SMILESO=C1NC(=S)S/C1=C\c1cnn(-c2ccc(F)cc2)c1
InChIInChI=1S/C13H8FN3OS2/c14-9-1-3-10(4-2-9)17-7-8(6-15-17)5-11-12(18)16-13(19)20-11/h1-7H,(H,16,18,19)/b11-5-
InChIKeyNEPGOCUKNORYKY-WZUFQYTHSA-N
XLogP2.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.50
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-(4-fluorophenyl)pyrazol-4-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-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CID 151182491) is (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is O=C1NC(=S)S/C1=C\c1cnn(-c2ccc(F)cc2)c1.
What is the InChIKey of (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
The InChIKey is NEPGOCUKNORYKY-WZUFQYTHSA-N. The full InChI is InChI=1S/C13H8FN3OS2/c14-9-1-3-10(4-2-9)17-7-8(6-15-17)5-11-12(18)16-13(19)20-11/h1-7H,(H,16,18,19)/b11-5-.
What are the key properties of (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?
(5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has a molecular weight of 305.36 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[1-(4-fluorophenyl)pyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is sourced from PubChem (CID 151182491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).