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

C15H14N2OS2 — CID 118668000

IUPAC4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1Cc1ccncc1
InChIInChI=1S/C15H14N2OS2/c18-15(13-4-2-1-3-5-13)11-20-14(19)17(15)10-12-6-8-16-9-7-12/h1-9,18H,10-11H2
InChIKeyRPAZLTQZYXMTQP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.76
Rot. Bonds3

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

4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione (PubChem CID 118668000) has the molecular formula C15H14N2OS2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione.

Molecular Properties

Compound Name4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione
PubChem CID118668000
Molecular FormulaC15H14N2OS2
Molecular Weight302.42 g/mol
Exact Mass302.05
IUPAC Name4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione
SMILESOC1(c2ccccc2)CSC(=S)N1Cc1ccncc1
InChIInChI=1S/C15H14N2OS2/c18-15(13-4-2-1-3-5-13)11-20-14(19)17(15)10-12-6-8-16-9-7-12/h1-9,18H,10-11H2
InChIKeyRPAZLTQZYXMTQP-UHFFFAOYSA-N
XLogP2.76
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.76
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-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione?
The IUPAC name of 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione (CID 118668000) is 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione.
What is the SMILES notation for 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione?
The canonical SMILES for 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione is OC1(c2ccccc2)CSC(=S)N1Cc1ccncc1.
What is the InChIKey of 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione?
The InChIKey is RPAZLTQZYXMTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS2/c18-15(13-4-2-1-3-5-13)11-20-14(19)17(15)10-12-6-8-16-9-7-12/h1-9,18H,10-11H2.
What are the key properties of 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione?
4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione has a molecular weight of 302.42 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-phenyl-3-(pyridin-4-ylmethyl)-1,3-thiazolidine-2-thione is sourced from PubChem (CID 118668000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).