7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

C20H14ClFN2O2S — CID 23604392

IUPAC7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccc(F)cc3)N2C(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClFN2O2S/c21-14-3-1-2-12(8-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-4-6-15(22)7-5-13/h1-8,16,26H,9,11H2
InChIKeyWFNZASUITNFXFI-UHFFFAOYSA-N
MW400.86 g/mol
LogP4.12
Rot. Bonds2

About 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile

7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23604392) has the molecular formula C20H14ClFN2O2S and a molecular weight of 400.86 g/mol. Its IUPAC name is 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23604392
Molecular FormulaC20H14ClFN2O2S
Molecular Weight400.86 g/mol
Exact Mass400.04
IUPAC Name7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
SMILESN#CC1=C2SCC(O)(c3ccc(F)cc3)N2C(=O)CC1c1cccc(Cl)c1
InChIInChI=1S/C20H14ClFN2O2S/c21-14-3-1-2-12(8-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-4-6-15(22)7-5-13/h1-8,16,26H,9,11H2
InChIKeyWFNZASUITNFXFI-UHFFFAOYSA-N
XLogP4.12
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.86
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23604392) is 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is N#CC1=C2SCC(O)(c3ccc(F)cc3)N2C(=O)CC1c1cccc(Cl)c1.
What is the InChIKey of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is WFNZASUITNFXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN2O2S/c21-14-3-1-2-12(8-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-4-6-15(22)7-5-13/h1-8,16,26H,9,11H2.
What are the key properties of 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 400.86 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-chlorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23604392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).