3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione

C14H11ClN2OS2 — CID 23458665

IUPAC3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2OS2/c15-11-6-7-12(16-8-11)17-13(19)20-9-14(17,18)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeyWIAVPMYDBKTYDJ-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.42
Rot. Bonds2

About 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione

3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione (PubChem CID 23458665) has the molecular formula C14H11ClN2OS2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
PubChem CID23458665
Molecular FormulaC14H11ClN2OS2
Molecular Weight322.84 g/mol
Exact Mass322.00
IUPAC Name3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1c1ccc(Cl)cn1
InChIInChI=1S/C14H11ClN2OS2/c15-11-6-7-12(16-8-11)17-13(19)20-9-14(17,18)10-4-2-1-3-5-10/h1-8,18H,9H2
InChIKeyWIAVPMYDBKTYDJ-UHFFFAOYSA-N
XLogP3.42
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.42
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 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione?
The IUPAC name of 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione (CID 23458665) is 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione.
What is the SMILES notation for 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione?
The canonical SMILES for 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione is OC1(c2ccccc2)CSC(=S)N1c1ccc(Cl)cn1.
What is the InChIKey of 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione?
The InChIKey is WIAVPMYDBKTYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS2/c15-11-6-7-12(16-8-11)17-13(19)20-9-14(17,18)10-4-2-1-3-5-10/h1-8,18H,9H2.
What are the key properties of 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione?
3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione has a molecular weight of 322.84 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-pyridinyl)-4-hydroxy-4-phenyl-1,3-thiazolidine-2-thione is sourced from PubChem (CID 23458665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).