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

C20H14F2N2O2S — CID 23604426

IUPAC7-(3-fluorophenyl)-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(F)c1
InChIInChI=1S/C20H14F2N2O2S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-23)16(9-18(25)24(19)20)12-2-1-3-15(22)8-12/h1-8,16,26H,9,11H2
InChIKeyBETHEISNZHZPTK-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.61
Rot. Bonds2

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

7-(3-fluorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23604426) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-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-fluorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23604426
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name7-(3-fluorophenyl)-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(F)c1
InChIInChI=1S/C20H14F2N2O2S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-23)16(9-18(25)24(19)20)12-2-1-3-15(22)8-12/h1-8,16,26H,9,11H2
InChIKeyBETHEISNZHZPTK-UHFFFAOYSA-N
XLogP3.61
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-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-fluorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23604426) is 7-(3-fluorophenyl)-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-fluorophenyl)-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-fluorophenyl)-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(F)c1.
What is the InChIKey of 7-(3-fluorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is BETHEISNZHZPTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-23)16(9-18(25)24(19)20)12-2-1-3-15(22)8-12/h1-8,16,26H,9,11H2.
What are the key properties of 7-(3-fluorophenyl)-3-(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
7-(3-fluorophenyl)-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 384.41 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-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 23604426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).