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

C20H15FN2O3S — CID 23604428

IUPAC3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-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(O)c1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2
InChIKeyPZWMNYSNMOZLCA-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.17
Rot. Bonds2

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

3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (PubChem CID 23604428) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile
PubChem CID23604428
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-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(O)c1
InChIInChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2
InChIKeyPZWMNYSNMOZLCA-UHFFFAOYSA-N
XLogP3.17
TPSA84.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The IUPAC name of 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile (CID 23604428) is 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-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(O)c1.
What is the InChIKey of 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
The InChIKey is PZWMNYSNMOZLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-14-6-4-13(5-7-14)20(26)11-27-19-17(10-22)16(9-18(25)23(19)20)12-2-1-3-15(24)8-12/h1-8,16,24,26H,9,11H2.
What are the key properties of 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile?
3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile has a molecular weight of 382.42 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-3-hydroxy-7-(3-hydroxyphenyl)-5-oxo-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 23604428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).