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

C15H13FN2OS2 — CID 579334

IUPAC4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
SMILESOC1(c2ccc(F)cc2)CSC(=S)N1Cc1cccnc1
InChIInChI=1S/C15H13FN2OS2/c16-13-5-3-12(4-6-13)15(19)10-21-14(20)18(15)9-11-2-1-7-17-8-11/h1-8,19H,9-10H2
InChIKeyULOWENAFGUTBIJ-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.90
Rot. Bonds3

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

4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione (PubChem CID 579334) has the molecular formula C15H13FN2OS2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
PubChem CID579334
Molecular FormulaC15H13FN2OS2
Molecular Weight320.41 g/mol
Exact Mass320.05
IUPAC Name4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
SMILESOC1(c2ccc(F)cc2)CSC(=S)N1Cc1cccnc1
InChIInChI=1S/C15H13FN2OS2/c16-13-5-3-12(4-6-13)15(19)10-21-14(20)18(15)9-11-2-1-7-17-8-11/h1-8,19H,9-10H2
InChIKeyULOWENAFGUTBIJ-UHFFFAOYSA-N
XLogP2.90
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione (CID 579334) is 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione is OC1(c2ccc(F)cc2)CSC(=S)N1Cc1cccnc1.
What is the InChIKey of 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
The InChIKey is ULOWENAFGUTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2OS2/c16-13-5-3-12(4-6-13)15(19)10-21-14(20)18(15)9-11-2-1-7-17-8-11/h1-8,19H,9-10H2.
What are the key properties of 4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione?
4-(4-fluorophenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione has a molecular weight of 320.41 g/mol, XLogP of 2.90, 3 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-3-ylmethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 579334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).