4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile

C16H11FN2OS — CID 130385921

IUPAC4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11FN2OS/c17-13-5-3-12(4-6-13)16-19(15(20)10-21-16)14-7-1-11(9-18)2-8-14/h1-8,16H,10H2
InChIKeyFSEODLCQVUNFRK-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.48
Rot. Bonds2

About 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile

4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile (PubChem CID 130385921) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile
PubChem CID130385921
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile
SMILESN#Cc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1
InChIInChI=1S/C16H11FN2OS/c17-13-5-3-12(4-6-13)16-19(15(20)10-21-16)14-7-1-11(9-18)2-8-14/h1-8,16H,10H2
InChIKeyFSEODLCQVUNFRK-UHFFFAOYSA-N
XLogP3.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile?
The IUPAC name of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile (CID 130385921) is 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile.
What is the SMILES notation for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile?
The canonical SMILES for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile is N#Cc1ccc(N2C(=O)CSC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile?
The InChIKey is FSEODLCQVUNFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-13-5-3-12(4-6-13)16-19(15(20)10-21-16)14-7-1-11(9-18)2-8-14/h1-8,16H,10H2.
What are the key properties of 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile?
4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile has a molecular weight of 298.34 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)-4-oxo-1,3-thiazolidin-3-yl]benzonitrile is sourced from PubChem (CID 130385921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).