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

C14H11FN2OS2 — CID 160746415

IUPAC4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
SMILESOC1(c2cccc(F)c2)CSC(=S)N1c1ccccn1
InChIInChI=1S/C14H11FN2OS2/c15-11-5-3-4-10(8-11)14(18)9-20-13(19)17(14)12-6-1-2-7-16-12/h1-8,18H,9H2
InChIKeyRWGADCWOLBTANK-UHFFFAOYSA-N
MW306.39 g/mol
LogP2.90
Rot. Bonds2

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

4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione (PubChem CID 160746415) has the molecular formula C14H11FN2OS2 and a molecular weight of 306.39 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
PubChem CID160746415
Molecular FormulaC14H11FN2OS2
Molecular Weight306.39 g/mol
Exact Mass306.03
IUPAC Name4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
SMILESOC1(c2cccc(F)c2)CSC(=S)N1c1ccccn1
InChIInChI=1S/C14H11FN2OS2/c15-11-5-3-4-10(8-11)14(18)9-20-13(19)17(14)12-6-1-2-7-16-12/h1-8,18H,9H2
InChIKeyRWGADCWOLBTANK-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'}

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Related Compounds

4-Hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione
CID 118668000
2-(2,6-Difluorophenyl)-3-(4-methyl-2-pyridyl)thiazolidine-4-thione
CID 497217
3-Ethyl-4-phenyl-2-(3-pyridinylimino)-1,3-thiazolidin-4-ol
CID 3115190
4-Phenyl-3-prop-2-enyl-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 3450070
4-(2-Fluorophenyl)-3-(3-imidazol-1-ylpropyl)-2-pyridin-3-ylimino-1,3-thiazolidin-4-ol
CID 4019011
Thiazolidine-2-thione, 4-(4-fluorophenyl)-4-hydroxy-3-(3-pyridylmethyl)-
CID 579334
[2-(4-fluorophenyl)-2-hydroxyethyl] N-(5-chloro-2-pyridinyl)carbamodithioate
CID 23458661
3-(4-Fluorophenyl)-3-hydroxypropyl 5-chloropyrid-2-yldithiocarbamate
CID 23458684
4-(5-Fluoro-2-methylphenyl)-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
CID 118670294
4-[5-Fluoro-2-(hydroxymethyl)phenyl]-4-hydroxy-3-(pyridin-3-ylmethyl)-1,3-thiazolidine-2-thione
CID 130209682
4-(4-Fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione
CID 154252100
4-(4-Fluorophenyl)-1-pyridin-2-ylpiperidin-4-ol
CID 155263928

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The IUPAC name of 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione (CID 160746415) is 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione is OC1(c2cccc(F)c2)CSC(=S)N1c1ccccn1.
What is the InChIKey of 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
The InChIKey is RWGADCWOLBTANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2OS2/c15-11-5-3-4-10(8-11)14(18)9-20-13(19)17(14)12-6-1-2-7-16-12/h1-8,18H,9H2.
What are the key properties of 4-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione?
4-(3-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-(3-fluorophenyl)-4-hydroxy-3-pyridin-2-yl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 160746415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).