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

C20H14F2N2O2S — CID 23604473

IUPAC3,7-bis(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)CC1c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-14-5-1-12(2-6-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-3-7-15(22)8-4-13/h1-8,16,26H,9,11H2
InChIKeyKNNYLKORHSIVRB-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.61
Rot. Bonds2

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

3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23604473) has the molecular formula C20H14F2N2O2S and a molecular weight of 384.41 g/mol. Its IUPAC name is 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23604473
Molecular FormulaC20H14F2N2O2S
Molecular Weight384.41 g/mol
Exact Mass384.07
IUPAC Name3,7-bis(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)CC1c1ccc(F)cc1
InChIInChI=1S/C20H14F2N2O2S/c21-14-5-1-12(2-6-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-3-7-15(22)8-4-13/h1-8,16,26H,9,11H2
InChIKeyKNNYLKORHSIVRB-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 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23604473) is 3,7-bis(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 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3,7-bis(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)CC1c1ccc(F)cc1.
What is the InChIKey of 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is KNNYLKORHSIVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N2O2S/c21-14-5-1-12(2-6-14)16-9-18(25)24-19(17(16)10-23)27-11-20(24,26)13-3-7-15(22)8-4-13/h1-8,16,26H,9,11H2.
What are the key properties of 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
3,7-bis(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 3,7-bis(4-fluorophenyl)-3-hydroxy-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23604473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).