4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione

C14H11FN2OS2 — CID 154252100

IUPAC4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccc(F)cc2)CSC(=S)N1c1ccccn1
InChIInChI=1S/C14H11FN2OS2/c15-11-6-4-10(5-7-11)14(18)9-20-13(19)17(14)12-3-1-2-8-16-12/h1-8,18H,9H2
InChIKeyWRIUCOICGCRBRB-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.90
Rot. Bonds2

About 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione

4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione (PubChem CID 154252100) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
PubChem CID154252100
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccc(F)cc2)CSC(=S)N1c1ccccn1
InChIInChI=1S/C14H11FN2OS2/c15-11-6-4-10(5-7-11)14(18)9-20-13(19)17(14)12-3-1-2-8-16-12/h1-8,18H,9H2
InChIKeyWRIUCOICGCRBRB-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione 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 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione (CID 154252100) is 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione is OC1(c2ccc(F)cc2)CSC(=S)N1c1ccccn1.
What is the InChIKey of 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is WRIUCOICGCRBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c15-11-6-4-10(5-7-11)14(18)9-20-13(19)17(14)12-3-1-2-8-16-12/h1-8,18H,9H2.
What are the key properties of 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione has a molecular weight of 306.39 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 154252100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).